pax_global_header 0000666 0000000 0000000 00000000064 13016354706 0014517 g ustar 00root root 0000000 0000000 52 comment=677da0f58e8035b4c2303de3838b64172fcfe106
tiledarray-0.6.0/ 0000775 0000000 0000000 00000000000 13016354706 0013662 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/.travis.yml 0000664 0000000 0000000 00000002520 13016354706 0015772 0 ustar 00root root 0000000 0000000 language: cpp
os: linux
compiler:
- gcc
- clang
env:
- GCC_VERSION=4.7
- GCC_VERSION=4.8
- GCC_VERSION=4.9
- GCC_VERSION=5
matrix:
exclude:
- compiler: clang
env: GCC_VERSION=4.7
- compiler: clang
env: GCC_VERSION=4.8
- compiler: clang
env: GCC_VERSION=4.9
allow_failures:
- compiler: clang # until llvm.org apt server is back up
env: GCC_VERSION=5 #
sudo: false
addons:
apt:
sources:
- george-edison55-precise-backports
- ubuntu-toolchain-r-test
- boost-latest
# LLVM apt mirror is down
#- llvm-toolchain-precise-3.7
packages:
- g++-4.7
- g++-4.8
- g++-4.9
- g++-5
# llvm.org apt repo is down
# - clang-3.7
- libeigen3-dev
- libboost1.55-dev
- libblas-dev
- liblapack-dev
#- mpich2 # disallowed - build from source
- libtbb-dev
- cmake
- cmake-data
#notifications:
# email:
# recipients:
# - @github.com
# on_success: change
# on_failure: always
before_install: ./bin/dep-$TRAVIS_OS_NAME.sh
script: ./bin/build-$TRAVIS_OS_NAME.sh
after_failure:
- cat ./_build/external/build/madness/CMakeFiles/CMakeOutput.log
- cat ./_build/external/build/madness/CMakeFiles/CMakeError.log
- cat ./_build/CMakeFiles/CMakeOutput.log
- cat ./_build/CMakeFiles/CMakeError.log tiledarray-0.6.0/CMakeLists.txt 0000664 0000000 0000000 00000027362 13016354706 0016434 0 ustar 00root root 0000000 0000000 #; -*-CMake-*-
#
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see
int main(int argc, char** argv) {
// Initialize the parallel runtime
TA::World& world = TA::initialize(argc, argv);
// Construct a 2D tiled range structure that defines
// the tiling of an array. Each dimension contains
// 10 tiles.
TA::TiledRange trange =
{ { 0, 10, 20, 30, 40, 50, 60, 70, 80, 90, 100 },
{ 0, 10, 20, 30, 40, 50, 60, 70, 80, 90, 100 } };
// Construct and fill the argument arrays with data
TA::TArrayD A(world, trange);
TA::TArrayD B(world, trange);
A.fill_local(3.0);
B.fill_local(2.0);
// Construct the (empty) result array.
TA::TArrayD C;
// Perform a distributed matrix multiplication
C("i,j") = A("i,k") * B("k,j");
// Tear down the parallel runtime.
TA::finalize();
return 0;
}
```
### Performance
Parallel performance of TiledArray for multiplication of dense square matrices on [Mira](https://www.alcf.anl.gov/mira), an IBM BlueGene/Q supercomputer at Argonne National Laboratory, compared with that of [Cyclops Tensor Framework](https://github.com/solomonik/ctf) and [ScaLAPACK](http://www.netlib.org/scalapack/):
This figure was obtained with the help of an award from [the Department of Energy INCITE program](http://www.doeleadershipcomputing.org/incite-program/).
Excellent parallel scalability is also possible for much more complicated expressions than just a single GEMM, as demonstrated below for the coupled-cluster singles and doubles (CCSD) wave function solver. Parallel speed-up of 1 iteration of CCSD solver for uracil trimer in 6-31G* AO basis was measured on ["BlueRidge" cluster](https://secure.hosting.vt.edu/www.arc.vt.edu/computing/blueridge-sandy-bridge/) at Virginia Tech (wall time on one 16-core node = 1290 sec):
This figure was obtained with the help of an allocation from [Advanced Research Computing](https://secure.hosting.vt.edu/www.arc.vt.edu/) at Virginia Tech.
### Installing TiledArray
#### Dependencies
* **C++ compiler with C++11 support** - Compilers that have been tested include:
* GCC 4.7.2 and later,
* Clang 3.4 and later,
* Apple Clang 5.0 and later, and
* Intel C/C++ Compiler 15 and later.
* **Cmake** 3.0 or later
* **Eigen** - Version 3.0 and later. http://eigen.tuxfamily.org
* **MADNESS** - While it is possible to compile MADNESS separately, we recommend compiling MADNESS automatically as part of TiledArray. Compilation of MADNESS requires the following additional prerequisites (see the [MADNESS GitHub page](https://github.com/m-a-d-n-e-s-s/madness) for details):
* **Pthreads**
* **MPI-2 or MPI-3 library** - [MPICH](http://www.mpich.org), [MVAPICH](http://mvapich.cse.ohio-state.edu), and [Intel MPI](https://software.intel.com/en-us/intel-mpi-library) have been tested. Intel MPI is recommended on x86/Infiniband hardware, but any of these libraries will do. We do not recommend OpenMPI as `MPI_THREAD_MULTIPLE` support is [broken](https://github.com/open-mpi/ompi/issues/157).
* **LAPACK** and **BLAS** - Serial (sequential, or 1-thread) versions of these libraries is recommended. If you have to use threaded version of these libraries, to avoid poor performance (or even errors) due to non-interoperable threading runtimes it is recommended to configure these libraries to use single thread at runtime before entering the block of TiledArray code.
* **Intel Threading Building Blocks** (optional) Version 4.3 Update 4 or later.
* **Doxygen** (optional) - Used to generate for documentation only
* **Boost** (optional) - Version 1.33.0 or later for unit tests only
#### Build
TiledArray includes several tool chain files for common platforms. These files contain system specific settings that have been tested on the various platforms. We recommend using one of these
```shell
$ git clone https://github.com/ValeevGroup/TiledArray.git tiledarray
$ cd tiledarray
$ mkdir build
$ cd build
$ cmake \
-D CMAKE_INSTALL_PREFIX=/path/to/tiledarray/install \
-D CMAKE_TOOLCHAIN_FILE=../cmake/toolchains/osx-clang-mpi-accelerate.cmake \
..
```
Common CMake cache variables that you may want to define include:
##### Compiler Variables
```cmake
-D CMAKE_C_COMPILER=/path/to/bin/cc
-D CMAKE_CXX_COMPILER=/path/to/bin/c++
-D MPI_C_COMPILER=/path/to/bin/mpicc
-D MPI_CXX_COMPILER=/path/to/bin/mpicxx
```
##### Option Variables
```cmake
-D CMAKE_BUILD_TYPE=(Release|Debug|RelWithDebInfo)
-D BUILD_SHARED_LIBS=(TRUE|FALSE)
-D TA_ERROR=(none|throw|assert)
```
##### Library Variables
```cmake
-D MADNESS_ROOT_DIR=/path/to/madness/root/dir
-D TBB_ROOT_DIR=/path/to/tbb/root/dir
-D LAPACK_LIBRARIES=(semicolon seperated list of LAPACK libraries)
-D BLAS_LIBRARIES=(semicolon seperated list of BLAS libraries)
-D BLA_STATIC=(TRUE|FALSE)
-D INTEGER4=(TRUE|FALSE)
-D EIGEN3_INCLUDE_DIR=/path/to/eigen3/include
```
`BLA_STATIC` indicates static LAPACK and BLAS libraries will be perferred. `INTEGER4` indicated the Fortran integer width used by BLAS and LAPACK; if `TRUE` (the default), the integer size is `integer*4`, otherwise `integer*8` is used.
Note, when configuring TiledArray, CMake will download and build MADNESS, Eigen, and Boost if they are not found on the system. Boost will only be installed if unit testing is enabled. This behavior can be disable with `-D TA_EXPERT=TRUE`.
### Developers
TiledArray is developed by the [Valeev Group](http://research.valeyev.net) at [Virginia Tech](http://www.vt.edu).
### License
TiledArray is freely available under the terms of the GPL v3+ licence. See the the included LICENSE file for details. If you are interested in using TiledArray under different licensing terms, please contact us.
### How to Cite
Cite TiledArray as
> "TiledArray: A general-purpose scalable block-sparse tensor framework", Justus A. Calvin and Edward F. Valeev, https://github.com/valeevgroup/tiledarray .
Inner workings of TiledArray are partially described in the following publications:
* Justus A. Calvin, Cannada A. Lewis, and Edward F. Valeev, "Scalable Task-Based Algorithm for Multiplication of Block-Rank-Sparse Matrices.", Proceedings of the 5th Workshop on Irregular Applications: Architectures and Algorithms, http://dx.doi.org/10.1145/2833179.2833186.
* Justus A. Calvin and Edward F. Valeev, "Task-Based Algorithm for Matrix Multiplication: A Step Towards Block-Sparse Tensor Computing." http://arxiv.org/abs/1504.05046 .
The MADNESS parallel runtime is described in the following publication:
* Robert J. Harrison, Gregory Beylkin, Florian A. Bischoff, Justus A. Calvin, George I. Fann, Jacob Fosso-Tande, Diego Galindo, Jeff R. Hammond, Rebecca Hartman-Baker, Judith C. Hill, Jun Jia, Jakob S. Kottmann, M-J. Yvonne Ou, Junchen Pei, Laura E. Ratcliff, Matthew G. Reuter, Adam C. Richie-Halford, Nichols A. Romero, Hideo Sekino, William A. Shelton, Bryan E. Sundahl, W. Scott Thornton, Edward F. Valeev, Álvaro Vázquez-Mayagoitia, Nicholas Vence, Takeshi Yanai, and Yukina Yokoi, "madness: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation.", *SIAM J Sci Comput* __38__, S123-S142 (2016), http://dx.doi.org/10.1137/15M1026171 .
### Acknowledgements
Development of TiledArray is made possible by past and present contributions from the National Science Foundation (awards CHE-0847295, CHE-0741927, OCI-1047696, CHE-1362655, ACI-1450262, ACI-1550456), the Alfred P. Sloan Foundation, the Camille and Henry Dreyfus Foundation, the Department of Energy Exascale Computing Project (NWChemEx subproject), and the Department of Energy INCITE Program.
tiledarray-0.6.0/bin/ 0000775 0000000 0000000 00000000000 13016354706 0014432 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/bin/build-linux.sh 0000775 0000000 0000000 00000001565 13016354706 0017234 0 ustar 00root root 0000000 0000000 #! /bin/sh
# Exit on error
set -ev
# Environment variables
export CXXFLAGS="-mno-avx"
if [ "$CXX" = "g++" ]; then
export CC=/usr/bin/gcc-$GCC_VERSION
export CXX=/usr/bin/g++-$GCC_VERSION
else
export CC=/usr/bin/clang-3.7
export CXX=/usr/bin/clang++-3.7
fi
export MPICC=$HOME/mpich/bin/mpicc
export MPICXX=$HOME/mpich/bin/mpicxx
export LD_LIBRARY_PATH=/usr/lib/lapack:/usr/lib/libblas:$LD_LIBRARY_PATH
# Configure TiledArray
mkdir _build
mkdir _install
cd _build
cmake .. -DCMAKE_INSTALL_PREFIX=../_install -DCMAKE_CXX_COMPILER=$CXX -DCMAKE_C_COMPILER=$CC \
-DMPI_CXX_COMPILER=$MPICXX -DMPI_C_COMPILER=$MPICC -DTA_BUILD_UNITTEST=ON \
-DCMAKE_BUILD_TYPE=Debug -DENABLE_ELEMENTAL=ON
# Build all libraries, examples, and applications
make -j2 all VERBOSE=1
make install
make -j2 ta_test VERBOSE=1
cd tests
export MAD_NUM_THREADS=2
./ta_test --show_progress
tiledarray-0.6.0/bin/dep-linux.sh 0000775 0000000 0000000 00000002075 13016354706 0016702 0 ustar 00root root 0000000 0000000 #! /bin/sh
# Exit on error
set -ev
# Install packages
case "$CXX" in
g++)
export CC=/usr/bin/gcc-$GCC_VERSION
export CXX=/usr/bin/g++-$GCC_VERSION
;;
clang++)
export CC=/usr/bin/clang-3.7
export CXX=/usr/bin/clang++-3.7
export CXXFLAGS="-std=c++11"
;;
*)
echo "Unknown C++ compiler:"
echo "$CXX"
exit 1
;;
esac
# Print compiler information
$CC --version
$CXX --version
# log the CMake version (need 3+)
cmake --version
# Install MPICH
if [ ! -d "${HOME}/mpich" ]; then
wget --no-check-certificate -q http://www.mpich.org/static/downloads/3.2/mpich-3.2.tar.gz
tar -xzf mpich-3.2.tar.gz
cd mpich-3.2
./configure CC=$CC CXX=$CXX --disable-fortran --disable-romio --prefix=${HOME}/mpich
make -j2
make install
${HOME}/mpich/bin/mpichversion
${HOME}/mpich/bin/mpicc -show
${HOME}/mpich/bin/mpicxx -show
else
echo "MPICH installed..."
find ${HOME}/mpich -name mpiexec
find ${HOME}/mpich -name mpicc
find ${HOME}/mpich -name mpicxx
fi
tiledarray-0.6.0/cmake/ 0000775 0000000 0000000 00000000000 13016354706 0014742 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/cmake/Makefile 0000664 0000000 0000000 00000002441 13016354706 0016403 0 ustar 00root root 0000000 0000000 #
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see
#include
#include
#include
#include
#include
#include
#include
#include
template
struct check
{
static_assert(sizeof(int) <= sizeof(T), \"not big enough\");
};
struct Base {
virtual void f() {}
};
struct Child : public Base {
virtual void f() override {}
};
typedef check> right_angle_brackets;
int a;
decltype(a) b;
typedef check check_type;
check_type c;
check_type&& cr = static_cast(c);
auto d = a;
auto l = [](){};
typedef std::is_same same_type;
inline int sum() { return 0; }
template
inline int sum(const T& t, const U&... u) {
return t + sum(u...);
}
template
void print_numbers(const args&... numbers) {
constexpr std::size_t n = sizeof...(args);
int nums[n] = { static_cast(numbers)... };
std::copy(nums, nums+n, std::ostream_iterator(std::cout, \" \"));
}
int main(int, char**){
std::tuple t(1, 2.0, 3ul);
std::hash h;
int h1 = h(1);
std::array aint10 = { 0,1,2,3,4,5,6,7,8,9 };
std::shared_ptr sptr = std::make_shared(1);
std::unique_ptr uptr{new int(2)};
const int s123 = sum(1, 2, 3);
print_numbers(-1);
print_numbers(0, 1, 2, 3, 4);
return 0;
}
")
macro(check_cxx11_support outvar)
# Check for default C++11 support
check_cxx_source_compiles("${STD_CXX11_TEST_CODE}" ${outvar})
if(NOT ${outvar})
# Check for and add, ADD additional test flags as necessary
foreach(_cxx11_test_flag "-std=c++11" "-std=c++0x")
cmake_push_check_state()
set(CMAKE_REQUIRED_FLAGS "${CMAKE_REQUIRED_FLAGS} ${_cxx11_test_flag}")
# Check for default C++11 support with _cxx11_test_flag
unset(${outvar} CACHE)
check_cxx_source_compiles("${STD_CXX11_TEST_CODE}" ${outvar})
cmake_pop_check_state()
if(${outvar})
append_flags(CMAKE_CXX_FLAGS "${_cxx11_test_flag}")
break()
endif()
endforeach()
endif()
endmacro(check_cxx11_support) tiledarray-0.6.0/cmake/modules/ConvertIncludesListToCompilerArgs.cmake 0000664 0000000 0000000 00000002333 13016354706 0026173 0 ustar 00root root 0000000 0000000 #
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see
# Copyright (c) 2008, 2009 Gael Guennebaud,
# Copyright (c) 2009 Benoit Jacob
# Redistribution and use is allowed according to the terms of the 2-clause BSD license.
if(NOT Eigen3_FIND_VERSION)
if(NOT Eigen3_FIND_VERSION_MAJOR)
set(Eigen3_FIND_VERSION_MAJOR 2)
endif(NOT Eigen3_FIND_VERSION_MAJOR)
if(NOT Eigen3_FIND_VERSION_MINOR)
set(Eigen3_FIND_VERSION_MINOR 91)
endif(NOT Eigen3_FIND_VERSION_MINOR)
if(NOT Eigen3_FIND_VERSION_PATCH)
set(Eigen3_FIND_VERSION_PATCH 0)
endif(NOT Eigen3_FIND_VERSION_PATCH)
set(Eigen3_FIND_VERSION "${Eigen3_FIND_VERSION_MAJOR}.${Eigen3_FIND_VERSION_MINOR}.${Eigen3_FIND_VERSION_PATCH}")
endif(NOT Eigen3_FIND_VERSION)
macro(_eigen3_check_version)
file(READ "${EIGEN3_INCLUDE_DIR}/Eigen/src/Core/util/Macros.h" _eigen3_version_header)
string(REGEX MATCH "define[ \t]+EIGEN_WORLD_VERSION[ \t]+([0-9]+)" _eigen3_world_version_match "${_eigen3_version_header}")
set(EIGEN3_WORLD_VERSION "${CMAKE_MATCH_1}")
string(REGEX MATCH "define[ \t]+EIGEN_MAJOR_VERSION[ \t]+([0-9]+)" _eigen3_major_version_match "${_eigen3_version_header}")
set(EIGEN3_MAJOR_VERSION "${CMAKE_MATCH_1}")
string(REGEX MATCH "define[ \t]+EIGEN_MINOR_VERSION[ \t]+([0-9]+)" _eigen3_minor_version_match "${_eigen3_version_header}")
set(EIGEN3_MINOR_VERSION "${CMAKE_MATCH_1}")
set(EIGEN3_VERSION ${EIGEN3_WORLD_VERSION}.${EIGEN3_MAJOR_VERSION}.${EIGEN3_MINOR_VERSION})
if(${EIGEN3_VERSION} VERSION_LESS ${Eigen3_FIND_VERSION})
set(EIGEN3_VERSION_OK FALSE)
else(${EIGEN3_VERSION} VERSION_LESS ${Eigen3_FIND_VERSION})
set(EIGEN3_VERSION_OK TRUE)
endif(${EIGEN3_VERSION} VERSION_LESS ${Eigen3_FIND_VERSION})
if(NOT EIGEN3_VERSION_OK)
message(STATUS "Eigen3 version ${EIGEN3_VERSION} found in ${EIGEN3_INCLUDE_DIR}, "
"but at least version ${Eigen3_FIND_VERSION} is required")
endif(NOT EIGEN3_VERSION_OK)
endmacro(_eigen3_check_version)
if (EIGEN3_INCLUDE_DIR)
# in cache already
_eigen3_check_version()
set(EIGEN3_FOUND ${EIGEN3_VERSION_OK})
else (EIGEN3_INCLUDE_DIR)
find_path(EIGEN3_INCLUDE_DIR NAMES signature_of_eigen3_matrix_library
PATHS
${CMAKE_INSTALL_PREFIX}/include
${KDE4_INCLUDE_DIR}
PATH_SUFFIXES eigen3 eigen
)
if(EIGEN3_INCLUDE_DIR)
_eigen3_check_version()
endif(EIGEN3_INCLUDE_DIR)
include(FindPackageHandleStandardArgs)
find_package_handle_standard_args(Eigen3 DEFAULT_MSG EIGEN3_INCLUDE_DIR EIGEN3_VERSION_OK)
mark_as_advanced(EIGEN3_INCLUDE_DIR)
endif(EIGEN3_INCLUDE_DIR)
tiledarray-0.6.0/cmake/modules/LibFindMacros.cmake 0000664 0000000 0000000 00000014555 13016354706 0022102 0 ustar 00root root 0000000 0000000 # Version 1.0 (2013-04-12)
# Public Domain, originally written by Lasse Karkkainen
# Published at http://www.cmake.org/Wiki/CMake:How_To_Find_Libraries
# If you improve the script, please modify the forementioned wiki page because
# I no longer maintain my scripts (hosted as static files at zi.fi). Feel free
# to remove this entire header if you use real version control instead.
# Changelog:
# 2013-04-12 Added version number (1.0) and this header, no other changes
# 2009-10-08 Originally published
# Works the same as find_package, but forwards the "REQUIRED" and "QUIET" arguments
# used for the current package. For this to work, the first parameter must be the
# prefix of the current package, then the prefix of the new package etc, which are
# passed to find_package.
macro (libfind_package PREFIX)
set (LIBFIND_PACKAGE_ARGS ${ARGN})
if (${PREFIX}_FIND_QUIETLY)
set (LIBFIND_PACKAGE_ARGS ${LIBFIND_PACKAGE_ARGS} QUIET)
endif (${PREFIX}_FIND_QUIETLY)
if (${PREFIX}_FIND_REQUIRED)
set (LIBFIND_PACKAGE_ARGS ${LIBFIND_PACKAGE_ARGS} REQUIRED)
endif (${PREFIX}_FIND_REQUIRED)
find_package(${LIBFIND_PACKAGE_ARGS})
endmacro (libfind_package)
# CMake developers made the UsePkgConfig system deprecated in the same release (2.6)
# where they added pkg_check_modules. Consequently I need to support both in my scripts
# to avoid those deprecated warnings. Here's a helper that does just that.
# Works identically to pkg_check_modules, except that no checks are needed prior to use.
macro (libfind_pkg_check_modules PREFIX PKGNAME)
if (${CMAKE_MAJOR_VERSION} EQUAL 2 AND ${CMAKE_MINOR_VERSION} EQUAL 4)
include(UsePkgConfig)
pkgconfig(${PKGNAME} ${PREFIX}_INCLUDE_DIRS ${PREFIX}_LIBRARY_DIRS ${PREFIX}_LDFLAGS ${PREFIX}_CFLAGS)
else (${CMAKE_MAJOR_VERSION} EQUAL 2 AND ${CMAKE_MINOR_VERSION} EQUAL 4)
find_package(PkgConfig)
if (PKG_CONFIG_FOUND)
pkg_check_modules(${PREFIX} ${PKGNAME})
endif (PKG_CONFIG_FOUND)
endif (${CMAKE_MAJOR_VERSION} EQUAL 2 AND ${CMAKE_MINOR_VERSION} EQUAL 4)
endmacro (libfind_pkg_check_modules)
# This macro searchs the _lib_list list for _lib, and, if found, adds any
# missing dependencies in the _deps list. Also, the ${PREFIX}_FIND_REQUIRED_${_dep}
# variable is set to true if the ${PREFIX}_FIND_REQUIRED_${_lib} is true
macro(libfind_add_dep PREFIX _lib_list _lib _deps)
list(FIND ${_lib_list} ${_lib} _lib_find)
if(NOT _lib_find EQUAL -1)
foreach(_dep ${_deps})
# Add missing dependencies to the list.
list(FIND ${_lib_list} ${_dep} _dep_find)
if(_dep_find EQUAL -1)
list(APPEND ${_lib_list} ${_dep})
endif()
# Set the find required flag for the dependency
if(${PREFIX}_FIND_REQUIRED_${_lib})
set(${PREFIX}_FIND_REQUIRED_${_dep} TRUE)
else()
set(${PREFIX}_FIND_REQUIRED_${_dep} FALSE)
endif()
endforeach()
endif()
endmacro()
# Do the final processing once the paths have been detected.
# If include dirs are needed, ${PREFIX}_PROCESS_INCLUDES should be set to contain
# all the variables, each of which contain one include directory.
# Ditto for ${PREFIX}_PROCESS_LIBS and library files.
# Will set ${PREFIX}_FOUND, ${PREFIX}_INCLUDE_DIRS and ${PREFIX}_LIBRARIES.
# Also handles errors in case library detection was required, etc.
macro (libfind_process PREFIX)
# Skip processing if already processed during this run
if (NOT ${PREFIX}_FOUND)
# Start with the assumption that the library was found
set (${PREFIX}_FOUND TRUE)
# Process all includes and set _FOUND to false if any are missing
foreach (i ${${PREFIX}_PROCESS_INCLUDES})
if (${i})
set (${PREFIX}_INCLUDE_DIRS ${${PREFIX}_INCLUDE_DIRS} ${${i}})
mark_as_advanced(${i})
else (${i})
set (${PREFIX}_FOUND FALSE)
endif (${i})
endforeach (i)
# Process all libraries and set _FOUND to false if any are missing
foreach (i ${${PREFIX}_PROCESS_LIBS})
if (${i})
set (${PREFIX}_LIBRARIES ${${PREFIX}_LIBRARIES} ${${i}})
mark_as_advanced(${i})
else (${i})
set (${PREFIX}_FOUND FALSE)
endif (${i})
endforeach (i)
# Print message and/or exit on fatal error
if (${PREFIX}_FOUND)
if (NOT ${PREFIX}_FIND_QUIETLY)
message (STATUS "Found ${PREFIX} ${${PREFIX}_VERSION}")
endif (NOT ${PREFIX}_FIND_QUIETLY)
else (${PREFIX}_FOUND)
if (${PREFIX}_FIND_REQUIRED)
foreach (i ${${PREFIX}_PROCESS_INCLUDES} ${${PREFIX}_PROCESS_LIBS})
message("${i}=${${i}}")
endforeach (i)
message (FATAL_ERROR "Required library ${PREFIX} NOT FOUND.\n"
"Install the library (dev version) and try again. "
"If the library is already installed, "
"use ccmake to set the missing variables manually.")
endif (${PREFIX}_FIND_REQUIRED)
endif (${PREFIX}_FOUND)
endif (NOT ${PREFIX}_FOUND)
endmacro (libfind_process)
macro(libfind_header PREFIX _var _header)
set(${PREFIX}_INCLUDE_SEARCH_DIR)
if(${PREFIX}_ROOT_DIR)
set(${PREFIX}_INCLUDE_SEARCH_DIR "${${PREFIX}_ROOT_DIR}/include")
endif()
find_path(${_var} ${_header}
HINTS ${${PREFIX}_INCLUDE_DIR} ${${PREFIX}_INCLUDE_SEARCH_DIR}
NO_CMAKE_SYSTEM_PATH)
endmacro()
macro(libfind_library PREFIX _name)
if(NOT ${PREFIX}_${_name}_LIBRARY)
if(${PREFIX}_LIBRARY)
# Search the user provided libraries for _name
foreach(_lib ${${PREFIX}_LIBRARY})
get_filename_component(_lib_name ${_lib} NAME)
string(FIND ${_lib_name} ${_name} _lib_found)
if(NOT _lib_found EQUAL -1)
# Set the component library list
set(${PREFIX}_${_name}_LIBRARY ${_lib})
break()
endif()
endforeach()
else()
set(${PREFIX}_LIB_SERACH_DIRS)
if(${PREFIX}_ROOT_DIR)
set(${PREFIX}_LIB_SERACH_DIRS "${${PREFIX}_ROOT_DIR}/lib")
endif()
# Search for the library
find_library(${PREFIX}_${_name}_LIBRARY ${_name}
HINTS ${${PREFIX}_PKGCONF_LIBRARY_DIRS} ${${PREFIX}_LIB_SERACH_DIRS}
NO_CMAKE_SYSTEM_PATH)
endif()
endif()
# Check that it exists and set the found variable
if(${PREFIX}_${_name}_LIBRARY AND EXISTS ${${PREFIX}_${_name}_LIBRARY})
set(${PREFIX}_${_name}_FOUND TRUE)
else()
set(${PREFIX}_${_name}_FOUND FALSE)
endif()
mark_as_advanced(${PREFIX}_${_name}_LIBRARY)
endmacro()
tiledarray-0.6.0/cmake/tiledarray-config.cmake.in 0000664 0000000 0000000 00000003751 13016354706 0021762 0 ustar 00root root 0000000 0000000 # - CMAKE Config file for the TiledArray package
# The following variables are defined:
# TILEDARRAY_FOUND - System has the TiledArray package
# TILEDARRAY_INCLUDE_DIRS - The TiledArray include directory
# TILEDARRAY_LIBRARIES - The TiledArray libraries and their dependencies
# Set package version
set(TILEDARRAY_VERSION "@TILEDARRAY_VERSION@")
@PACKAGE_INIT@
# Include library IMPORT targets
if(NOT TARGET tiledarray)
include("${CMAKE_CURRENT_LIST_DIR}/tiledarray-targets.cmake")
endif()
if(NOT TARGET MADworld)
# if madness installed separately, use the madness install discovered when configuring TA
set(MADNESS_CONFIG_DIR "@MADNESS_CONFIG_DIR@")
# otherwise assume TA built madness
if (MADNESS_CONFIG_DIR STREQUAL "")
set(MADNESS_CONFIG_DIR "${CMAKE_CURRENT_LIST_DIR}/../madness")
endif()
find_package(MADNESS 0.10.1 CONFIG QUIET REQUIRED COMPONENTS world PATHS ${MADNESS_CONFIG_DIR} NO_DEFAULT_PATH)
endif()
# re-export other dependency info
if (@EIGEN3_FOUND@)
set(EIGEN3_FOUND @EIGEN3_FOUND@)
set(EIGEN3_VERSION @EIGEN3_VERSION@)
set(EIGEN3_INCLUDE_DIR @EIGEN3_INCLUDE_DIR@)
endif()
# Set the tiledarray compiled library target
set(TILEDARRAY_LIBRARIES tiledarray)
set(TILEDARRAY_SOURCE_DIR "@TILEDARRAY_SOURCE_DIR@")
set(TILEDARRAY_BINARY_DIR "@TILEDARRAY_BINARY_DIR@")
set(TILEDARRAY_BUILD_INCLUDE_DIRS "${TILEDARRAY_SOURCE_DIR}/src" "${TILEDARRAY_BINARY_DIR}/src")
set(TILEDARRAY_INSTALL_INCLUDE_DIRS "@PACKAGE_TILEDARRAY_INSTALL_INCLUDEDIR@"
"@PACKAGE_TILEDARRAY_INSTALL_INCLUDEDIR@/TiledArray/external")
# define TILEDARRAY_INCLUDE_DIRS according to where we are compiling: TA build tree or outside
# external packages should use TILEDARRAY_BUILD_INCLUDE_DIRS and TILEDARRAY_INSTALL_INCLUDE_DIRS directly
if(CMAKE_CURRENT_LIST_DIR EQUAL TILEDARRAY_BINARY_DIR)
set(TILEDARRAY_INCLUDE_DIRS "${TILEDARRAY_BUILD_INCLUDE_DIRS}")
else()
set(TILEDARRAY_INCLUDE_DIRS "${TILEDARRAY_INSTALL_INCLUDE_DIRS}")
endif()
set(TILEDARRAY_FOUND TRUE)
tiledarray-0.6.0/cmake/toolchains/ 0000775 0000000 0000000 00000000000 13016354706 0017105 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/cmake/toolchains/blueridge-gcc-mvapich-mkl.cmake 0000664 0000000 0000000 00000003556 13016354706 0025022 0 ustar 00root root 0000000 0000000 set(CMAKE_SYSTEM_NAME Linux)
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER gcc)
set(CMAKE_CXX_COMPILER g++)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
# Set BLAS/LAPACK flags
if($ENV{MKLROOT} AND EXISTS $ENV{MKLROOT})
set(MKLROOT "$ENV{MKLROOT}")
else()
set(MKLROOT "/opt/apps/intel/13.1/mkl")
endif()
set(BLAS_LIBRARIES "-Wl,--start-group;${MKLROOT}/lib/intel64/libmkl_intel_lp64.a;${MKLROOT}/lib/intel64/libmkl_core.a;${MKLROOT}/lib/intel64/libmkl_sequential.a;-Wl,--end-group;-lpthread;-lm" CACHE STRING "BLAS linker flags")
set(LAPACK_LIBRARIES "${BLAS_LIBRARIES};-ldl" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
# Set BOOST directory
set(BOOST_ROOT "$ENV{BOOST_DIR}" CACHE STRING "Boost root directory")
tiledarray-0.6.0/cmake/toolchains/blueridge-intel.cmake 0000664 0000000 0000000 00000003673 13016354706 0023173 0 ustar 00root root 0000000 0000000 set(CMAKE_SYSTEM_NAME Linux)
# Set paths (add a cache entry for the paths used by the configure script)
set(GCC_ROOT_DIR "/opt/apps/gcc/4.9.2")
set(MKL_ROOT_DIR "$ENV{INTEL_DIR}/mkl")
set(TBB_ROOT_DIR "$ENV{INTEL_DIR}/tbb" CACHE PATH "TBB root directory")
set(BOOST_ROOT "$ENV{BOOST_DIR}" CACHE PATH "Boost root directory")
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER icc)
set(CMAKE_CXX_COMPILER icpc)
set(MPI_C_COMPILER mpiicc)
set(MPI_CXX_COMPILER mpiicpc)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99 -gcc-name=${GCC_ROOT_DIR}/bin/gcc" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11 -gxx-name=${GCC_ROOT_DIR}/bin/g++" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
set(LAPACK_LIBRARIES "-Wl,--start-group" "${MKL_ROOT_DIR}/lib/intel64/libmkl_intel_lp64.a"
"${MKL_ROOT_DIR}/lib/intel64/libmkl_core.a" "${MKL_ROOT_DIR}/lib/intel64/libmkl_sequential.a"
"-Wl,--end-group" "-lm" "-ldl" CACHE STRING "BLAS linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
set(BUILD_SHARED_LIBS OFF CACHE BOOL "Build shared libraries")
tiledarray-0.6.0/cmake/toolchains/fedora-clang++-mkl.cmake 0000664 0000000 0000000 00000003235 13016354706 0023343 0 ustar 00root root 0000000 0000000 # Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER clang)
set(CMAKE_CXX_COMPILER clang++)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
set(MKLROOT "/opt/intel/mkl")
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-m64 -I${MKLROOT}/include -std=c++11" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
set(BLAS_LIBRARIES "-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_sequential.a -Wl,--end-group -lpthread -lm -ldl" CACHE STRING "BLAS linker flags")
set(LAPACK_LIBRARIES "${BLAS_LIBRARIES};-ldl" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
tiledarray-0.6.0/cmake/toolchains/fedora-g++-mkl.cmake 0000664 0000000 0000000 00000003527 13016354706 0022511 0 ustar 00root root 0000000 0000000 # Set compilers (assumes the compilers are in the PATH)
set(MPICHROOT "/usr/lib64/mpich")
set(CMAKE_C_COMPILER gcc)
set(CMAKE_CXX_COMPILER g++)
set(MPI_C_COMPILER ${MPICHROOT}/bin/mpicc)
set(MPI_CXX_COMPILER ${MPICHROOT}/bin/mpicxx)
set(MKLROOT "/opt/intel/mkl")
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-m64 -I${MKLROOT}/include -I/opt/intel/tbb/include -std=c++11" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
set(BLAS_LIBRARIES "-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_sequential.a -Wl,--end-group -lpthread -lm -ldl" CACHE STRING "BLAS linker flags")
set(LAPACK_LIBRARIES "${BLAS_LIBRARIES};-ldl" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
set(TBB_INCLUDE_DIR "/opt/intel/tbb/include")
set(TBB_LIBRARY "/opt/intel/tbb/lib/intel64/gcc4.4")
tiledarray-0.6.0/cmake/toolchains/gcc-mvapich-mkl.cmake 0000664 0000000 0000000 00000004641 13016354706 0023056 0 ustar 00root root 0000000 0000000 #
# Generic Toolchain for MVAPICH + MKL
#
# REQUIREMENTS:
# - in PATH:
# gcc, g++, mpicc, and mpicxx
# - environment variables:
# * INTEL_DIR: the Intel compiler directory (includes MKL and TBB), e.g. /opt/intel
# * EIGEN3_DIR or (deprecated) EIGEN_DIR: the Eigen3 directory
# * BOOST_DIR: the Boost root directory
#
# Set paths (add a cache entry for the paths used by the configure script)
set(MKL_ROOT_DIR "$ENV{INTEL_DIR}/mkl")
set(TBB_ROOT_DIR "$ENV{INTEL_DIR}/tbb" CACHE PATH "TBB root directory")
# query EIGEN3_DIR and (deprecated) EIGEN_DIR envvars
if ($ENV{EIGEN3_DIR})
set(ENV_EIGEN3_DIR "$ENV{EIGEN3_DIR}")
else()
set(ENV_EIGEN3_DIR "$ENV{EIGEN_DIR}")
endif()
set(EIGEN3_INCLUDE_DIR "${ENV_EIGEN3_DIR}" CACHE PATH "Eigen3 library directory")
set(BOOST_ROOT "$ENV{BOOST_DIR}" CACHE PATH "Boost root directory")
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER gcc)
set(CMAKE_CXX_COMPILER g++)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
set(LAPACK_LIBRARIES "-Wl,--start-group" "${MKL_ROOT_DIR}/lib/intel64/libmkl_intel_lp64.a" "${MKL_ROOT_DIR}/lib/intel64/libmkl_core.a" "${MKL_ROOT_DIR}/lib/intel64/libmkl_sequential.a" "-lm" "-ldl" "-Wl,--end-group" CACHE STRING "BLAS linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
set(BUILD_SHARED_LIBS OFF CACHE BOOL "Build shared libraries")
tiledarray-0.6.0/cmake/toolchains/intel-mpi-mkl-tbb.cmake 0000664 0000000 0000000 00000005051 13016354706 0023334 0 ustar 00root root 0000000 0000000 #
# Generic Toolchain for Intel MPI + MKL + TBB
#
# REQUIREMENTS:
# - in PATH:
# icc, icpc, mpiicc, and mpiicpc
# - environment variables:
# * INTEL_DIR: the Intel compiler directory (includes MKL and TBB), e.g. /opt/intel
# * GCC_DIR: ${GCC_DIR}/bin/gcc points to the gcc compiler to use
# * EIGEN3_DIR or (deprecated) EIGEN_DIR: the Eigen3 directory
# * BOOST_DIR: the Boost root directory
#
# Set paths (add a cache entry for the paths used by the configure script)
set(GCC_ROOT_DIR "$ENV{GCC_DIR}")
set(MKL_ROOT_DIR "$ENV{INTEL_DIR}/mkl")
set(TBB_ROOT_DIR "$ENV{INTEL_DIR}/tbb" CACHE PATH "TBB root directory")
# query EIGEN3_DIR and (deprecated) EIGEN_DIR envvars
if ($ENV{EIGEN3_DIR})
set(ENV_EIGEN3_DIR "$ENV{EIGEN3_DIR}")
else()
set(ENV_EIGEN3_DIR "$ENV{EIGEN_DIR}")
endif()
set(EIGEN3_INCLUDE_DIR "${ENV_EIGEN3_DIR}" CACHE PATH "Eigen3 library directory")
set(BOOST_ROOT "$ENV{BOOST_DIR}" CACHE PATH "Boost root directory")
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER icc)
set(CMAKE_CXX_COMPILER icpc)
set(MPI_C_COMPILER mpiicc)
set(MPI_CXX_COMPILER mpiicpc)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99 -gcc-name=${GCC_ROOT_DIR}/bin/gcc" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11 -gxx-name=${GCC_ROOT_DIR}/bin/g++" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
set(LAPACK_LIBRARIES "-Wl,--start-group" "${MKL_ROOT_DIR}/lib/intel64/libmkl_intel_lp64.a"
"${MKL_ROOT_DIR}/lib/intel64/libmkl_core.a" "${MKL_ROOT_DIR}/lib/intel64/libmkl_sequential.a" "-Wl,--end-group"
"-lm" "-ldl" CACHE STRING "BLAS linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
set(BUILD_SHARED_LIBS OFF CACHE BOOL "Build shared libraries")
tiledarray-0.6.0/cmake/toolchains/mira-clang11-essl.cmake 0000664 0000000 0000000 00000005304 13016354706 0023231 0 ustar 00root root 0000000 0000000 # Set the system name so CMake uses the appropriate platform settings.
# NOTE: The platforms settings for BlueGeneP are the same for BlueGeneQ
set(CMAKE_SYSTEM_NAME BlueGeneP-static)
# Set environment paths
set(CLANG_DIR "/soft/compilers/bgclang")
set(IBM_DIR "$ENV{IBM_MAIN_DIR}")
set(XLF_DIR "${IBM_DIR}/xlf/bg/14.1")
set(XLSMP_DIR "${IBM_DIR}/xlsmp/bg/3.1")
set(ESSL_DIR "/soft/libraries/essl/current/essl/5.1")
set(LAPACK_DIR "/soft/libraries/alcf/current/xl/LAPACK")
# V1R2M0
#set(MPI_DIR "/bgsys/drivers/ppcfloor/comm/gcc")
#set(PAMI_DIR "/bgsys/drivers/ppcfloor/comm/sys")
# V1R2M1
#set(GCC_DIR "/bgsys/drivers/toolchain/V1R2M2_base_4.7.2/gnu-linux-4.7.2")
# V1R2M2
#set(GCC_DIR "/bgsys/drivers/toolchain/V1R2M2_base_4.7.2-efix14/gnu-linux-4.7.2-efix014")
set(MPI_DIR "/bgsys/drivers/ppcfloor/comm")
set(PAMI_DIR "/bgsys/drivers/ppcfloor/comm")
set(SPI_DIR "/bgsys/drivers/ppcfloor/spi")
# Set compilers
set(CMAKE_C_COMPILER "${CLANG_DIR}/wbin/bgclang")
set(CMAKE_CXX_COMPILER "${CLANG_DIR}/wbin/bgclang++11")
set(CMAKE_Fortran_COMPILER "${GCC_DIR}/bin/powerpc64-bgq-linux-gfortran")
set(MPI_C_COMPILER "mpicc")
set(MPI_CXX_COMPILER "mpicxx")
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99 -mcpu=a2 -mtune=a2" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-mcpu=a2 -mtune=a2" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
# Set library
set(XL_LIBRARIES ${XLSMP_DIR}/bglib64/libxlsmp.a)
set(XLF_LIBRARIES ${XLF_DIR}/bglib64/libxlf90_r.a;${XLF_DIR}/bglib64/libxlfmath.a;${XLF_DIR}/bglib64/libxlopt.a;${XLF_DIR}/bglib64/libxl.a)
set(BLAS_LIBRARY ${ESSL_DIR}/lib64/libesslbg.a)
set(BLAS_LIBRARIES ${BLAS_LIBRARY};${XLF_LIBRARIES};${XL_LIBRARIES})
set(LAPACK_LIBRARY ${LAPACK_DIR}/lib/liblapack.a)
set(LAPACK_LIBRARIES ${LAPACK_LIBRARY};${BLAS_LIBRARIES})
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
tiledarray-0.6.0/cmake/toolchains/mira-gcc-essl.cmake 0000664 0000000 0000000 00000006612 13016354706 0022542 0 ustar 00root root 0000000 0000000 # Set the system name so CMake uses the appropriate platform settings.
# NOTE: The platforms settings for BlueGeneP are the same for BlueGeneQ
set(CMAKE_SYSTEM_NAME BlueGeneP-static)
# Set environment paths
set(IBM_DIR "$ENV{IBM_MAIN_DIR}")
set(XLF_DIR "${IBM_DIR}/xlf/bg/14.1")
set(XLSMP_DIR "${IBM_DIR}/xlsmp/bg/3.1")
set(ESSL_DIR "/soft/libraries/essl/current/essl/5.1")
set(LAPACK_DIR "/soft/libraries/alcf/current/xl/LAPACK")
# V1R2M0
#set(MPI_DIR "/bgsys/drivers/ppcfloor/comm/gcc")
#set(PAMI_DIR "/bgsys/drivers/ppcfloor/comm/sys")
# V1R2M1
#set(GCC_DIR "/bgsys/drivers/toolchain/V1R2M2_base_4.7.2/gnu-linux-4.7.2")
# V1R2M2
set(GCC_DIR "/bgsys/drivers/toolchain/V1R2M2_base_4.7.2-efix14/gnu-linux-4.7.2-efix014")
set(MPI_DIR "/bgsys/drivers/ppcfloor/comm")
set(PAMI_DIR "/bgsys/drivers/ppcfloor/comm")
set(SPI_DIR "/bgsys/drivers/ppcfloor/spi")
# Set compilers
set(CMAKE_C_COMPILER "${GCC_DIR}/bin/powerpc64-bgq-linux-gcc")
set(CMAKE_CXX_COMPILER "${GCC_DIR}/bin/powerpc64-bgq-linux-g++")
set(CMAKE_Fortran_COMPILER "${GCC_DIR}/bin/powerpc64-bgq-linux-gfortran")
set(MPI_C_COMPILER "mpicc")
set(MPI_CXX_COMPILER "mpicxx")
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99 -mcpu=a2 -mtune=a2" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11 -mcpu=a2 -mtune=a2" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
# Set library
set(XL_LIBRARIES ${XLSMP_DIR}/bglib64/libxlsmp.a)
set(XLF_LIBRARIES ${XLF_DIR}/bglib64/libxlf90_r.a;${XLF_DIR}/bglib64/libxlfmath.a;${XLF_DIR}/bglib64/libxlopt.a;${XLF_DIR}/bglib64/libxl.a;-ldl;-lm)
set(BLAS_LIBRARIES ${ESSL_DIR}/lib64/libesslbg.a;${BLAS_LIBRARY};${XLF_LIBRARIES};${XL_LIBRARIES})
set(LAPACK_LIBRARIES ${LAPACK_DIR}/lib/liblapack.a;${BLAS_LIBRARIES})
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
##############################################################
# set the search path for the environment coming with the compiler
# and a directory where you can install your own compiled software
#set(CMAKE_FIND_ROOT_PATH
# /bgsys/drivers/ppcfloor/
# ${MPI_DIR}
# ${PAMI_DIR}
# ${SPI_DIR}
# ${GCC_DIR}
# ${CLANG_DIR}
# ${IBM_DIR}
# ${XLF_DIR}
# ${XLSMP_DIR}
# ${ESSL_DIR})
# adjust the default behaviour of the FIND_XXX() commands:
# search headers and libraries in the target environment, search
# programs in the host environment
#set(CMAKE_FIND_ROOT_PATH_MODE_PROGRAM NEVER)
#set(CMAKE_FIND_ROOT_PATH_MODE_LIBRARY ONLY)
#set(CMAKE_FIND_ROOT_PATH_MODE_INCLUDE ONLY)
##############################################################
tiledarray-0.6.0/cmake/toolchains/osx-clang-mpi-accelerate.cmake 0000664 0000000 0000000 00000002777 13016354706 0024670 0 ustar 00root root 0000000 0000000 #set(CMAKE_SYSTEM_NAME Darwin)
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER clang)
set(CMAKE_CXX_COMPILER clang++)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11 -stdlib=libc++" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
# Set BLAS/LAPACK flags
set(BLAS_LINKER_FLAGS "-framework Accelerate" CACHE STRING "BLAS linker flags")
set(LAPACK_LINKER_FLAGS "" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
tiledarray-0.6.0/cmake/toolchains/osx-clang-mpi-mkl.cmake 0000664 0000000 0000000 00000003221 13016354706 0023344 0 ustar 00root root 0000000 0000000 set(CMAKE_SYSTEM_NAME Darwin)
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER clang)
set(CMAKE_CXX_COMPILER clang++)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11 -stdlib=libc++" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall" CACHE STRING "Inital C++ release with debug info compile flags")
# Set BLAS/LAPACK flags
if(EXISTS $ENV{MKLROOT})
set(MKLROOT "$ENV{MKLROOT}")
else()
set(MKLROOT "/opt/intel/mkl")
endif()
set(BLAS_LINKER_FLAGS "-L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lm" CACHE STRING "BLAS linker flags")
set(LAPACK_LINKER_FLAGS "" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
tiledarray-0.6.0/cmake/toolchains/osx-intel-mpi-mkl.cmake 0000664 0000000 0000000 00000003405 13016354706 0023377 0 ustar 00root root 0000000 0000000 set(CMAKE_SYSTEM_NAME Darwin)
# Set compilers (assumes the compilers are in the PATH)
set(CMAKE_C_COMPILER icc)
set(CMAKE_CXX_COMPILER icpc)
set(MPI_C_COMPILER mpicc)
set(MPI_CXX_COMPILER mpicxx)
# Set compile flags
set(CMAKE_C_FLAGS_INIT "-std=c99" CACHE STRING "Inital C compile flags")
set(CMAKE_C_FLAGS_DEBUG "-g -Wall -diag-disable remark,279,654,1125" CACHE STRING "Inital C debug compile flags")
set(CMAKE_C_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C minimum size release compile flags")
set(CMAKE_C_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C release compile flags")
set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g -Wall -diag-disable remark,279,654,1125" CACHE STRING "Inital C release with debug info compile flags")
set(CMAKE_CXX_FLAGS_INIT "-std=c++11" CACHE STRING "Inital C++ compile flags")
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall -diag-disable remark,279,654,1125" CACHE STRING "Inital C++ debug compile flags")
set(CMAKE_CXX_FLAGS_MINSIZEREL "-Os -march=native -DNDEBUG" CACHE STRING "Inital C++ minimum size release compile flags")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -march=native -DNDEBUG" CACHE STRING "Inital C++ release compile flags")
set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -Wall -diag-disable remark,279,654,1125" CACHE STRING "Inital C++ release with debug info compile flags")
# Set BLAS/LAPACK flags
if(EXISTS $ENV{MKLROOT})
set(MKLROOT "$ENV{MKLROOT}")
else()
set(MKLROOT "/opt/intel/mkl")
endif()
set(BLAS_LINKER_FLAGS "-L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lm" CACHE STRING "BLAS linker flags")
set(LAPACK_LINKER_FLAGS "" CACHE STRING "LAPACK linker flags")
set(INTEGER4 TRUE CACHE BOOL "Set Fortran integer size to 4 bytes")
tiledarray-0.6.0/configure 0000775 0000000 0000000 00000017106 13016354706 0015576 0 ustar 00root root 0000000 0000000 #!/bin/sh
#
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see ...]
Options: [defaults in brackets after descriptions]
Configuration:
--help print this message
--prefix= install prefix (CMAKE_INSTALL_PREFIX=)
--debug debug build (CMAKE_BUILD_TYPE=Debug)
--unittest build unit tests (TA_BUILD_UNITTEST=TRUE)
--lapack= LAPACK libraries (LAPACK_LIBRARIES=)
--blas= BLAS libraries (BLAS_LIBRARIES=)
--integer8 Use integer*8 Fortran integers in BLAS calls. If this option
is not given, integer*4 Fortran integers are used in BLAS
calls. (INTEGER4=FALSE)
--mpicc= MPI C compiler to deduce MPI environment,
only needed if CXX is not set to an MPI compiler wrapper
(MPI_C_COMPILER=)
--mpicxx= MPI C++ compiler to deduce MPI environment,
only needed if CXX is not set to an MPI compiler wrapper
(MPI_CXX_COMPILER=)
--disable-mpi Disable checks and inclusion of MPI (DISABLE_MPI)
--boost= Boost path, only needed if --unittest is set also (BOOST_ROOT=)
--madness= MADNESS path (MADNESS_ROOT_DIR=)
--tbb= Threading Building Blocks path (TBB_ROOT_DIR=)
--tbb-include= Threading Building Blocks include path (TBB_INCLUDE_DIR=)
--tbb-library= Threading Building Blocks library path (TBB_LIBRARY=)
--elemental= compile Elemental as part of MADNESS (ENABLE_ELEMENTAL=TRUE,
ELEMENTAL_TAG=)
--error-checking= specify the default error reporting style,
allowed values: none, throw (default), assert
(TA_ERROR=)
--search= paths to search for files/libraries, separated by semicolon;
specify here the locations of Eigen, MADNESS unless you want
configure to download and build them automatically
(CMAKE_PREFIX_PATH=)
--expert Expert mode: disables building dependencies, e.g. Eigen,
MADNESS, etc. (TA_EXPERT=TRUE)
-D* passed verbatim to cmake command
Some influential environment variables:
CPPFLAGS C/C++ proprocessor flags (e.g. CPPFLAGS='-I/opt/local/include -DNDEBUG')
LDFLAGS linker flags (e.g. LDFLAGS=-L/libdir)
CXX C++ compiler command (e.g. CXX='mpicxx')
CXXFLAGS C++ compiler flags (e.g. CXXFLAGS='-O0 -g -std=c++0x')
F77 Fortran 77 compiler command (e.g. F77='gfortran')
FFLAGS Fortran 77 compiler flags (e.g. FFLAGS='-fdefault-integer-8')
CC C compiler command (e.g. CC='mpicc')
CFLAGS C compiler flags (e.g. CFLAGS='-O0 -g -std=c11')
'
exit 1
}
# was told to build local cmake
if [ $# -eq 1 -a "$1" = "cmake" ]; then
cd $TOPDIR/cmake && make cmake
exit
fi
# check if local cmake was built
CMAKE=$TOPDIR/cmake/bin/cmake
if [ ! -x "$CMAKE" ]; then
CMAKE=`which cmake 2>/dev/null`
fi
# if no local/system cmake exist, build!
if [ -z "$CMAKE" ]; then
make -C cmake
CMAKE=$TOPDIR/cmake/bin/cmake
fi
srcdir=`dirname $0`
echo $srcdir
args=""
prefix=$PWD
build="Release"
# log the command-line arguments, preserving quotes
log="#!/bin/sh\n# Last invoked on `date`:\n$0 "
for token in "$@"
do
log="$log '$token'"
done
while test $# != 0; do
case "$1" in
--help|-h) help ;;
--prefix=*) prefix="`arg \"$1\"`" ;;
--lapack=*) lapack="`arg \"$1\"`"
args="$args -DLAPACK_LIBRARIES=\"$lapack\"" ;;
--blas=*) blas="`arg \"$1\"`"
args="$args -DBLAS_LIBRARIES=\"$blas\"" ;;
--integer8) args="$args -DINTEGER4=FALSE" ;;
--debug) build="Debug" ;; #args="$args -DCMAKE_BUILD_TYPE=Debug" ;;
--search=*) search="`arg \"$1\"`"
args="$args -DCMAKE_PREFIX_PATH=\"$search\"" ;;
--mpicc=*) args="$args -DMPI_C_COMPILER=`arg \"$1\"`" ;;
--mpicxx=*) args="$args -DMPI_CXX_COMPILER=`arg \"$1\"`" ;;
--disable-mpi) args="$args -DENABLE_MPI=OFF" ;;
--unittest) args="$args -DTA_BUILD_UNITTEST=TRUE" ;;
--boost=*) args="$args -DBOOST_ROOT=`arg \"$1\"`" ;;
--madness=*) args="$args -DMADNESS_ROOT_DIR=`arg \"$1\"`" ;;
--tbb=*) args="$args -DTBB_ROOT_DIR=`arg \"$1\"`" ;;
--tbb-include=*) args="$args -DTBB_INCLUDE_DIR=`arg \"$1\"`" ;;
--tbb-library=*) args="$args -DTBB_LIBRARY=`arg \"$1\"`" ;;
--elemental) args="$args -DENABLE_ELEMENTAL=1" ;;
--elemental=*) args="$args -DENABLE_ELEMENTAL=1 -DELEMENTAL_TAG=`arg \"$1\"`" ;;
--error-checking=*) args="$args -DTA_ERROR=`arg \"$1\"`" ;;
--expert) args="$args -DTA_EXPERT=TRUE" ;;
-D*) args="$args $1" ;; # raw cmake arg
CC=*) CC="`arg \"$1\"`" ;;
CXX=*) CXX="`arg \"$1\"`" ;;
F77=*) F77="`arg \"$1\"`" ;;
CPPFLAGS=*) CPPFLAGS="`arg \"$1\"`" ;;
CFLAGS=*) CFLAGS="`arg \"$1\"`" ;;
CXXFLAGS=*) CXXFLAGS="`arg \"$1\"`" ;;
FFLAGS=*) FFLAGS="`arg \"$1\"`" ;;
LDFLAGS=*) LDFLAGS="`arg \"$1\"`" ;;
*) exit "Unknown option: \"$1\"" ;;
esac
shift
done
# dump command-line arguments into reconf.sh
echo $log > reconf.sh
chmod +x reconf.sh
args="$args -DCMAKE_INSTALL_PREFIX=$prefix"
args="$args -DCMAKE_BUILD_TYPE=$build"
if [ -n "$CC" ]; then
args="$args -DCMAKE_C_COMPILER=$CC"
fi
if [ -n "$CXX" ]; then
args="$args -DCMAKE_CXX_COMPILER=$CXX"
fi
if [ -n "$F77" ]; then
args="$args -DCMAKE_Fortran_COMPILER=$F77"
fi
if [ -n "$CPPFLAGS" ]; then
args="$args -DCMAKE_CPP_FLAGS=\"$CPPFLAGS\""
fi
# to add CPPFLAGS properly in cmake would need to parse it into defines and includes, etc.
# easiest to just merge all into CFLAGS/CXXFLAGS
if [ -n "$CFLAGS" ]; then
if [ -n "$CPPFLAGS" ]; then
args="$args -DCMAKE_C_FLAGS=\"$CFLAGS $CPPFLAGS\""
else
args="$args -DCMAKE_C_FLAGS=\"$CFLAGS\""
fi
fi
if [ -n "$CXXFLAGS" ]; then
if [ -n "$CPPFLAGS" ]; then
args="$args -DCMAKE_CXX_FLAGS=\"$CXXFLAGS $CPPFLAGS\""
else
args="$args -DCMAKE_CXX_FLAGS=\"$CXXFLAGS\""
fi
fi
if [ -n "$FFLAGS" ]; then
args="$args -DCMAKE_Fortran_FLAGS=\"$FFLAGS\""
fi
if [ -n "$LDFLAGS" ]; then
args="$args -DCMAKE_EXE_LINKER_FLAGS=\"$LDFLAGS\""
fi
echo "Using CMake $CMAKE"
cmd="$CMAKE $args $srcdir"
set -x
rm -fr CMakeFiles CMakeCache.txt
eval $cmd
tiledarray-0.6.0/doc/ 0000775 0000000 0000000 00000000000 13016354706 0014427 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/doc/CMakeLists.txt 0000664 0000000 0000000 00000002161 13016354706 0017167 0 ustar 00root root 0000000 0000000 #
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see ... \endif and \cond
# ... \endcond blocks.
ENABLED_SECTIONS =
# The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the
# initial value of a variable or macro / define can have for it to appear in the
# documentation. If the initializer consists of more lines than specified here
# it will be hidden. Use a value of 0 to hide initializers completely. The
# appearance of the value of individual variables and macros / defines can be
# controlled using \showinitializer or \hideinitializer command in the
# documentation regardless of this setting.
# Minimum value: 0, maximum value: 10000, default value: 30.
MAX_INITIALIZER_LINES = 30
# Set the SHOW_USED_FILES tag to NO to disable the list of files generated at
# the bottom of the documentation of classes and structs. If set to YES, the
# list will mention the files that were used to generate the documentation.
# The default value is: YES.
SHOW_USED_FILES = YES
# Set the SHOW_FILES tag to NO to disable the generation of the Files page. This
# will remove the Files entry from the Quick Index and from the Folder Tree View
# (if specified).
# The default value is: YES.
SHOW_FILES = YES
# Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces
# page. This will remove the Namespaces entry from the Quick Index and from the
# Folder Tree View (if specified).
# The default value is: YES.
SHOW_NAMESPACES = YES
# The FILE_VERSION_FILTER tag can be used to specify a program or script that
# doxygen should invoke to get the current version for each file (typically from
# the version control system). Doxygen will invoke the program by executing (via
# popen()) the command command input-file, where command is the value of the
# FILE_VERSION_FILTER tag, and input-file is the name of an input file provided
# by doxygen. Whatever the program writes to standard output is used as the file
# version. For an example see the documentation.
FILE_VERSION_FILTER =
# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed
# by doxygen. The layout file controls the global structure of the generated
# output files in an output format independent way. To create the layout file
# that represents doxygen's defaults, run doxygen with the -l option. You can
# optionally specify a file name after the option, if omitted DoxygenLayout.xml
# will be used as the name of the layout file.
#
# Note that if you run doxygen from a directory containing a file called
# DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE
# tag is left empty.
LAYOUT_FILE =
# The CITE_BIB_FILES tag can be used to specify one or more bib files containing
# the reference definitions. This must be a list of .bib files. The .bib
# extension is automatically appended if omitted. This requires the bibtex tool
# to be installed. See also http://en.wikipedia.org/wiki/BibTeX for more info.
# For LaTeX the style of the bibliography can be controlled using
# LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the
# search path. See also \cite for info how to create references.
CITE_BIB_FILES =
#---------------------------------------------------------------------------
# Configuration options related to warning and progress messages
#---------------------------------------------------------------------------
# The QUIET tag can be used to turn on/off the messages that are generated to
# standard output by doxygen. If QUIET is set to YES this implies that the
# messages are off.
# The default value is: NO.
QUIET = NO
# The WARNINGS tag can be used to turn on/off the warning messages that are
# generated to standard error (stderr) by doxygen. If WARNINGS is set to YES
# this implies that the warnings are on.
#
# Tip: Turn warnings on while writing the documentation.
# The default value is: YES.
WARNINGS = YES
# If the WARN_IF_UNDOCUMENTED tag is set to YES then doxygen will generate
# warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag
# will automatically be disabled.
# The default value is: YES.
WARN_IF_UNDOCUMENTED = YES
# If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for
# potential errors in the documentation, such as not documenting some parameters
# in a documented function, or documenting parameters that don't exist or using
# markup commands wrongly.
# The default value is: YES.
WARN_IF_DOC_ERROR = YES
# This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that
# are documented, but have no documentation for their parameters or return
# value. If set to NO, doxygen will only warn about wrong or incomplete
# parameter documentation, but not about the absence of documentation.
# The default value is: NO.
WARN_NO_PARAMDOC = NO
# The WARN_FORMAT tag determines the format of the warning messages that doxygen
# can produce. The string should contain the $file, $line, and $text tags, which
# will be replaced by the file and line number from which the warning originated
# and the warning text. Optionally the format may contain $version, which will
# be replaced by the version of the file (if it could be obtained via
# FILE_VERSION_FILTER)
# The default value is: $file:$line: $text.
WARN_FORMAT = "$file:$line: $text"
# The WARN_LOGFILE tag can be used to specify a file to which warning and error
# messages should be written. If left blank the output is written to standard
# error (stderr).
WARN_LOGFILE =
#---------------------------------------------------------------------------
# Configuration options related to the input files
#---------------------------------------------------------------------------
# The INPUT tag is used to specify the files and/or directories that contain
# documented source files. You may enter file names like myfile.cpp or
# directories like /usr/src/myproject. Separate the files or directories with
# spaces.
# Note: If this tag is empty the current directory is searched.
INPUT = @CMAKE_SOURCE_DIR@/src \
@CMAKE_SOURCE_DIR@/README.md
# This tag can be used to specify the character encoding of the source files
# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses
# libiconv (or the iconv built into libc) for the transcoding. See the libiconv
# documentation (see: http://www.gnu.org/software/libiconv) for the list of
# possible encodings.
# The default value is: UTF-8.
INPUT_ENCODING = UTF-8
# If the value of the INPUT tag contains directories, you can use the
# FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and
# *.h) to filter out the source-files in the directories. If left blank the
# following patterns are tested:*.c, *.cc, *.cxx, *.cpp, *.c++, *.java, *.ii,
# *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, *.hh, *.hxx, *.hpp,
# *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, *.m, *.markdown,
# *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf,
# *.qsf, *.as and *.js.
FILE_PATTERNS = *.c \
*.cc \
*.cxx \
*.cpp \
*.c++ \
*.d \
*.java \
*.ii \
*.ixx \
*.ipp \
*.i++ \
*.inl \
*.h \
*.hh \
*.hxx \
*.hpp \
*.h++ \
*.idl \
*.odl \
*.cs \
*.php \
*.php3 \
*.inc \
*.m \
*.mm \
*.dox \
*.py \
*.f90 \
*.f \
*.vhd \
*.vhdl
# The RECURSIVE tag can be used to specify whether or not subdirectories should
# be searched for input files as well.
# The default value is: NO.
RECURSIVE = YES
# The EXCLUDE tag can be used to specify files and/or directories that should be
# excluded from the INPUT source files. This way you can easily exclude a
# subdirectory from a directory tree whose root is specified with the INPUT tag.
#
# Note that relative paths are relative to the directory from which doxygen is
# run.
EXCLUDE =
# The EXCLUDE_SYMLINKS tag can be used to select whether or not files or
# directories that are symbolic links (a Unix file system feature) are excluded
# from the input.
# The default value is: NO.
EXCLUDE_SYMLINKS = NO
# If the value of the INPUT tag contains directories, you can use the
# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude
# certain files from those directories.
#
# Note that the wildcards are matched against the file with absolute path, so to
# exclude all test directories for example use the pattern */test/*
EXCLUDE_PATTERNS =
# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
# (namespaces, classes, functions, etc.) that should be excluded from the
# output. The symbol name can be a fully qualified name, a word, or if the
# wildcard * is used, a substring. Examples: ANamespace, AClass,
# AClass::ANamespace, ANamespace::*Test
#
# Note that the wildcards are matched against the file with absolute path, so to
# exclude all test directories use the pattern */test/*
EXCLUDE_SYMBOLS =
# The EXAMPLE_PATH tag can be used to specify one or more files or directories
# that contain example code fragments that are included (see the \include
# command).
EXAMPLE_PATH =
# If the value of the EXAMPLE_PATH tag contains directories, you can use the
# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and
# *.h) to filter out the source-files in the directories. If left blank all
# files are included.
EXAMPLE_PATTERNS = *
# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be
# searched for input files to be used with the \include or \dontinclude commands
# irrespective of the value of the RECURSIVE tag.
# The default value is: NO.
EXAMPLE_RECURSIVE = NO
# The IMAGE_PATH tag can be used to specify one or more files or directories
# that contain images that are to be included in the documentation (see the
# \image command).
IMAGE_PATH =
# The INPUT_FILTER tag can be used to specify a program that doxygen should
# invoke to filter for each input file. Doxygen will invoke the filter program
# by executing (via popen()) the command:
#
#
#
# where is the value of the INPUT_FILTER tag, and is the
# name of an input file. Doxygen will then use the output that the filter
# program writes to standard output. If FILTER_PATTERNS is specified, this tag
# will be ignored.
#
# Note that the filter must not add or remove lines; it is applied before the
# code is scanned, but not when the output code is generated. If lines are added
# or removed, the anchors will not be placed correctly.
INPUT_FILTER =
# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern
# basis. Doxygen will compare the file name with each pattern and apply the
# filter if there is a match. The filters are a list of the form: pattern=filter
# (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how
# filters are used. If the FILTER_PATTERNS tag is empty or if none of the
# patterns match the file name, INPUT_FILTER is applied.
FILTER_PATTERNS =
# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using
# INPUT_FILTER) will also be used to filter the input files that are used for
# producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES).
# The default value is: NO.
FILTER_SOURCE_FILES = NO
# The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file
# pattern. A pattern will override the setting for FILTER_PATTERN (if any) and
# it is also possible to disable source filtering for a specific pattern using
# *.ext= (so without naming a filter).
# This tag requires that the tag FILTER_SOURCE_FILES is set to YES.
FILTER_SOURCE_PATTERNS =
# If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that
# is part of the input, its contents will be placed on the main page
# (index.html). This can be useful if you have a project on for instance GitHub
# and want to reuse the introduction page also for the doxygen output.
USE_MDFILE_AS_MAINPAGE = README.md
#---------------------------------------------------------------------------
# Configuration options related to source browsing
#---------------------------------------------------------------------------
# If the SOURCE_BROWSER tag is set to YES then a list of source files will be
# generated. Documented entities will be cross-referenced with these sources.
#
# Note: To get rid of all source code in the generated output, make sure that
# also VERBATIM_HEADERS is set to NO.
# The default value is: NO.
SOURCE_BROWSER = YES
# Setting the INLINE_SOURCES tag to YES will include the body of functions,
# classes and enums directly into the documentation.
# The default value is: NO.
INLINE_SOURCES = NO
# Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any
# special comment blocks from generated source code fragments. Normal C, C++ and
# Fortran comments will always remain visible.
# The default value is: YES.
STRIP_CODE_COMMENTS = YES
# If the REFERENCED_BY_RELATION tag is set to YES then for each documented
# function all documented functions referencing it will be listed.
# The default value is: NO.
REFERENCED_BY_RELATION = NO
# If the REFERENCES_RELATION tag is set to YES then for each documented function
# all documented entities called/used by that function will be listed.
# The default value is: NO.
REFERENCES_RELATION = NO
# If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set
# to YES then the hyperlinks from functions in REFERENCES_RELATION and
# REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will
# link to the documentation.
# The default value is: YES.
REFERENCES_LINK_SOURCE = YES
# If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the
# source code will show a tooltip with additional information such as prototype,
# brief description and links to the definition and documentation. Since this
# will make the HTML file larger and loading of large files a bit slower, you
# can opt to disable this feature.
# The default value is: YES.
# This tag requires that the tag SOURCE_BROWSER is set to YES.
SOURCE_TOOLTIPS = YES
# If the USE_HTAGS tag is set to YES then the references to source code will
# point to the HTML generated by the htags(1) tool instead of doxygen built-in
# source browser. The htags tool is part of GNU's global source tagging system
# (see http://www.gnu.org/software/global/global.html). You will need version
# 4.8.6 or higher.
#
# To use it do the following:
# - Install the latest version of global
# - Enable SOURCE_BROWSER and USE_HTAGS in the config file
# - Make sure the INPUT points to the root of the source tree
# - Run doxygen as normal
#
# Doxygen will invoke htags (and that will in turn invoke gtags), so these
# tools must be available from the command line (i.e. in the search path).
#
# The result: instead of the source browser generated by doxygen, the links to
# source code will now point to the output of htags.
# The default value is: NO.
# This tag requires that the tag SOURCE_BROWSER is set to YES.
USE_HTAGS = NO
# If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a
# verbatim copy of the header file for each class for which an include is
# specified. Set to NO to disable this.
# See also: Section \class.
# The default value is: YES.
VERBATIM_HEADERS = YES
#---------------------------------------------------------------------------
# Configuration options related to the alphabetical class index
#---------------------------------------------------------------------------
# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all
# compounds will be generated. Enable this if the project contains a lot of
# classes, structs, unions or interfaces.
# The default value is: YES.
ALPHABETICAL_INDEX = NO
# The COLS_IN_ALPHA_INDEX tag can be used to specify the number of columns in
# which the alphabetical index list will be split.
# Minimum value: 1, maximum value: 20, default value: 5.
# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.
COLS_IN_ALPHA_INDEX = 5
# In case all classes in a project start with a common prefix, all classes will
# be put under the same header in the alphabetical index. The IGNORE_PREFIX tag
# can be used to specify a prefix (or a list of prefixes) that should be ignored
# while generating the index headers.
# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.
IGNORE_PREFIX =
#---------------------------------------------------------------------------
# Configuration options related to the HTML output
#---------------------------------------------------------------------------
# If the GENERATE_HTML tag is set to YES, doxygen will generate HTML output
# The default value is: YES.
GENERATE_HTML = YES
# The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a
# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
# it.
# The default directory is: html.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_OUTPUT = html
# The HTML_FILE_EXTENSION tag can be used to specify the file extension for each
# generated HTML page (for example: .htm, .php, .asp).
# The default value is: .html.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_FILE_EXTENSION = .html
# The HTML_HEADER tag can be used to specify a user-defined HTML header file for
# each generated HTML page. If the tag is left blank doxygen will generate a
# standard header.
#
# To get valid HTML the header file that includes any scripts and style sheets
# that doxygen needs, which is dependent on the configuration options used (e.g.
# the setting GENERATE_TREEVIEW). It is highly recommended to start with a
# default header using
# doxygen -w html new_header.html new_footer.html new_stylesheet.css
# YourConfigFile
# and then modify the file new_header.html. See also section "Doxygen usage"
# for information on how to generate the default header that doxygen normally
# uses.
# Note: The header is subject to change so you typically have to regenerate the
# default header when upgrading to a newer version of doxygen. For a description
# of the possible markers and block names see the documentation.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_HEADER =
# The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each
# generated HTML page. If the tag is left blank doxygen will generate a standard
# footer. See HTML_HEADER for more information on how to generate a default
# footer and what special commands can be used inside the footer. See also
# section "Doxygen usage" for information on how to generate the default footer
# that doxygen normally uses.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_FOOTER =
# The HTML_STYLESHEET tag can be used to specify a user-defined cascading style
# sheet that is used by each HTML page. It can be used to fine-tune the look of
# the HTML output. If left blank doxygen will generate a default style sheet.
# See also section "Doxygen usage" for information on how to generate the style
# sheet that doxygen normally uses.
# Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as
# it is more robust and this tag (HTML_STYLESHEET) will in the future become
# obsolete.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_STYLESHEET =
# The HTML_EXTRA_STYLESHEET tag can be used to specify additional user-defined
# cascading style sheets that are included after the standard style sheets
# created by doxygen. Using this option one can overrule certain style aspects.
# This is preferred over using HTML_STYLESHEET since it does not replace the
# standard style sheet and is therefore more robust against future updates.
# Doxygen will copy the style sheet files to the output directory.
# Note: The order of the extra style sheet files is of importance (e.g. the last
# style sheet in the list overrules the setting of the previous ones in the
# list). For an example see the documentation.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_EXTRA_STYLESHEET =
# The HTML_EXTRA_FILES tag can be used to specify one or more extra images or
# other source files which should be copied to the HTML output directory. Note
# that these files will be copied to the base HTML output directory. Use the
# $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these
# files. In the HTML_STYLESHEET file, use the file name only. Also note that the
# files will be copied as-is; there are no commands or markers available.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_EXTRA_FILES =
# The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen
# will adjust the colors in the style sheet and background images according to
# this color. Hue is specified as an angle on a colorwheel, see
# http://en.wikipedia.org/wiki/Hue for more information. For instance the value
# 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300
# purple, and 360 is red again.
# Minimum value: 0, maximum value: 359, default value: 220.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_COLORSTYLE_HUE = 220
# The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors
# in the HTML output. For a value of 0 the output will use grayscales only. A
# value of 255 will produce the most vivid colors.
# Minimum value: 0, maximum value: 255, default value: 100.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_COLORSTYLE_SAT = 100
# The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the
# luminance component of the colors in the HTML output. Values below 100
# gradually make the output lighter, whereas values above 100 make the output
# darker. The value divided by 100 is the actual gamma applied, so 80 represents
# a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not
# change the gamma.
# Minimum value: 40, maximum value: 240, default value: 80.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_COLORSTYLE_GAMMA = 80
# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML
# page will contain the date and time when the page was generated. Setting this
# to NO can help when comparing the output of multiple runs.
# The default value is: YES.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_TIMESTAMP = YES
# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML
# documentation will contain sections that can be hidden and shown after the
# page has loaded.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_DYNAMIC_SECTIONS = NO
# With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries
# shown in the various tree structured indices initially; the user can expand
# and collapse entries dynamically later on. Doxygen will expand the tree to
# such a level that at most the specified number of entries are visible (unless
# a fully collapsed tree already exceeds this amount). So setting the number of
# entries 1 will produce a full collapsed tree by default. 0 is a special value
# representing an infinite number of entries and will result in a full expanded
# tree by default.
# Minimum value: 0, maximum value: 9999, default value: 100.
# This tag requires that the tag GENERATE_HTML is set to YES.
HTML_INDEX_NUM_ENTRIES = 100
# If the GENERATE_DOCSET tag is set to YES, additional index files will be
# generated that can be used as input for Apple's Xcode 3 integrated development
# environment (see: http://developer.apple.com/tools/xcode/), introduced with
# OSX 10.5 (Leopard). To create a documentation set, doxygen will generate a
# Makefile in the HTML output directory. Running make will produce the docset in
# that directory and running make install will install the docset in
# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at
# startup. See http://developer.apple.com/tools/creatingdocsetswithdoxygen.html
# for more information.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
GENERATE_DOCSET = NO
# This tag determines the name of the docset feed. A documentation feed provides
# an umbrella under which multiple documentation sets from a single provider
# (such as a company or product suite) can be grouped.
# The default value is: Doxygen generated docs.
# This tag requires that the tag GENERATE_DOCSET is set to YES.
DOCSET_FEEDNAME = "Doxygen generated docs"
# This tag specifies a string that should uniquely identify the documentation
# set bundle. This should be a reverse domain-name style string, e.g.
# com.mycompany.MyDocSet. Doxygen will append .docset to the name.
# The default value is: org.doxygen.Project.
# This tag requires that the tag GENERATE_DOCSET is set to YES.
DOCSET_BUNDLE_ID = org.doxygen.Project
# The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify
# the documentation publisher. This should be a reverse domain-name style
# string, e.g. com.mycompany.MyDocSet.documentation.
# The default value is: org.doxygen.Publisher.
# This tag requires that the tag GENERATE_DOCSET is set to YES.
DOCSET_PUBLISHER_ID = org.doxygen.Publisher
# The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher.
# The default value is: Publisher.
# This tag requires that the tag GENERATE_DOCSET is set to YES.
DOCSET_PUBLISHER_NAME = Publisher
# If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three
# additional HTML index files: index.hhp, index.hhc, and index.hhk. The
# index.hhp is a project file that can be read by Microsoft's HTML Help Workshop
# (see: http://www.microsoft.com/en-us/download/details.aspx?id=21138) on
# Windows.
#
# The HTML Help Workshop contains a compiler that can convert all HTML output
# generated by doxygen into a single compiled HTML file (.chm). Compiled HTML
# files are now used as the Windows 98 help format, and will replace the old
# Windows help format (.hlp) on all Windows platforms in the future. Compressed
# HTML files also contain an index, a table of contents, and you can search for
# words in the documentation. The HTML workshop also contains a viewer for
# compressed HTML files.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
GENERATE_HTMLHELP = NO
# The CHM_FILE tag can be used to specify the file name of the resulting .chm
# file. You can add a path in front of the file if the result should not be
# written to the html output directory.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
CHM_FILE =
# The HHC_LOCATION tag can be used to specify the location (absolute path
# including file name) of the HTML help compiler (hhc.exe). If non-empty,
# doxygen will try to run the HTML help compiler on the generated index.hhp.
# The file has to be specified with full path.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
HHC_LOCATION =
# The GENERATE_CHI flag controls if a separate .chi index file is generated
# (YES) or that it should be included in the master .chm file (NO).
# The default value is: NO.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
GENERATE_CHI = NO
# The CHM_INDEX_ENCODING is used to encode HtmlHelp index (hhk), content (hhc)
# and project file content.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
CHM_INDEX_ENCODING =
# The BINARY_TOC flag controls whether a binary table of contents is generated
# (YES) or a normal table of contents (NO) in the .chm file. Furthermore it
# enables the Previous and Next buttons.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
BINARY_TOC = NO
# The TOC_EXPAND flag can be set to YES to add extra items for group members to
# the table of contents of the HTML help documentation and to the tree view.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
TOC_EXPAND = NO
# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and
# QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that
# can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help
# (.qch) of the generated HTML documentation.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
GENERATE_QHP = NO
# If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify
# the file name of the resulting .qch file. The path specified is relative to
# the HTML output folder.
# This tag requires that the tag GENERATE_QHP is set to YES.
QCH_FILE =
# The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help
# Project output. For more information please see Qt Help Project / Namespace
# (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#namespace).
# The default value is: org.doxygen.Project.
# This tag requires that the tag GENERATE_QHP is set to YES.
QHP_NAMESPACE =
# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt
# Help Project output. For more information please see Qt Help Project / Virtual
# Folders (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#virtual-
# folders).
# The default value is: doc.
# This tag requires that the tag GENERATE_QHP is set to YES.
QHP_VIRTUAL_FOLDER = doc
# If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom
# filter to add. For more information please see Qt Help Project / Custom
# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-
# filters).
# This tag requires that the tag GENERATE_QHP is set to YES.
QHP_CUST_FILTER_NAME =
# The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the
# custom filter to add. For more information please see Qt Help Project / Custom
# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-
# filters).
# This tag requires that the tag GENERATE_QHP is set to YES.
QHP_CUST_FILTER_ATTRS =
# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this
# project's filter section matches. Qt Help Project / Filter Attributes (see:
# http://qt-project.org/doc/qt-4.8/qthelpproject.html#filter-attributes).
# This tag requires that the tag GENERATE_QHP is set to YES.
QHP_SECT_FILTER_ATTRS =
# The QHG_LOCATION tag can be used to specify the location of Qt's
# qhelpgenerator. If non-empty doxygen will try to run qhelpgenerator on the
# generated .qhp file.
# This tag requires that the tag GENERATE_QHP is set to YES.
QHG_LOCATION =
# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be
# generated, together with the HTML files, they form an Eclipse help plugin. To
# install this plugin and make it available under the help contents menu in
# Eclipse, the contents of the directory containing the HTML and XML files needs
# to be copied into the plugins directory of eclipse. The name of the directory
# within the plugins directory should be the same as the ECLIPSE_DOC_ID value.
# After copying Eclipse needs to be restarted before the help appears.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
GENERATE_ECLIPSEHELP = NO
# A unique identifier for the Eclipse help plugin. When installing the plugin
# the directory name containing the HTML and XML files should also have this
# name. Each documentation set should have its own identifier.
# The default value is: org.doxygen.Project.
# This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES.
ECLIPSE_DOC_ID = org.doxygen.Project
# If you want full control over the layout of the generated HTML pages it might
# be necessary to disable the index and replace it with your own. The
# DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top
# of each HTML page. A value of NO enables the index and the value YES disables
# it. Since the tabs in the index contain the same information as the navigation
# tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
DISABLE_INDEX = NO
# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index
# structure should be generated to display hierarchical information. If the tag
# value is set to YES, a side panel will be generated containing a tree-like
# index structure (just like the one that is generated for HTML Help). For this
# to work a browser that supports JavaScript, DHTML, CSS and frames is required
# (i.e. any modern browser). Windows users are probably better off using the
# HTML help feature. Via custom style sheets (see HTML_EXTRA_STYLESHEET) one can
# further fine-tune the look of the index. As an example, the default style
# sheet generated by doxygen has an example that shows how to put an image at
# the root of the tree instead of the PROJECT_NAME. Since the tree basically has
# the same information as the tab index, you could consider setting
# DISABLE_INDEX to YES when enabling this option.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
GENERATE_TREEVIEW = YES
# The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that
# doxygen will group on one line in the generated HTML documentation.
#
# Note that a value of 0 will completely suppress the enum values from appearing
# in the overview section.
# Minimum value: 0, maximum value: 20, default value: 4.
# This tag requires that the tag GENERATE_HTML is set to YES.
ENUM_VALUES_PER_LINE = 4
# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used
# to set the initial width (in pixels) of the frame in which the tree is shown.
# Minimum value: 0, maximum value: 1500, default value: 250.
# This tag requires that the tag GENERATE_HTML is set to YES.
TREEVIEW_WIDTH = 250
# If the EXT_LINKS_IN_WINDOW option is set to YES, doxygen will open links to
# external symbols imported via tag files in a separate window.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
EXT_LINKS_IN_WINDOW = NO
# Use this tag to change the font size of LaTeX formulas included as images in
# the HTML documentation. When you change the font size after a successful
# doxygen run you need to manually remove any form_*.png images from the HTML
# output directory to force them to be regenerated.
# Minimum value: 8, maximum value: 50, default value: 10.
# This tag requires that the tag GENERATE_HTML is set to YES.
FORMULA_FONTSIZE = 10
# Use the FORMULA_TRANPARENT tag to determine whether or not the images
# generated for formulas are transparent PNGs. Transparent PNGs are not
# supported properly for IE 6.0, but are supported on all modern browsers.
#
# Note that when changing this option you need to delete any form_*.png files in
# the HTML output directory before the changes have effect.
# The default value is: YES.
# This tag requires that the tag GENERATE_HTML is set to YES.
FORMULA_TRANSPARENT = YES
# Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see
# http://www.mathjax.org) which uses client side Javascript for the rendering
# instead of using pre-rendered bitmaps. Use this if you do not have LaTeX
# installed or if you want to formulas look prettier in the HTML output. When
# enabled you may also need to install MathJax separately and configure the path
# to it using the MATHJAX_RELPATH option.
# The default value is: NO.
# This tag requires that the tag GENERATE_HTML is set to YES.
USE_MATHJAX = NO
# When MathJax is enabled you can set the default output format to be used for
# the MathJax output. See the MathJax site (see:
# http://docs.mathjax.org/en/latest/output.html) for more details.
# Possible values are: HTML-CSS (which is slower, but has the best
# compatibility), NativeMML (i.e. MathML) and SVG.
# The default value is: HTML-CSS.
# This tag requires that the tag USE_MATHJAX is set to YES.
MATHJAX_FORMAT = HTML-CSS
# When MathJax is enabled you need to specify the location relative to the HTML
# output directory using the MATHJAX_RELPATH option. The destination directory
# should contain the MathJax.js script. For instance, if the mathjax directory
# is located at the same level as the HTML output directory, then
# MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax
# Content Delivery Network so you can quickly see the result without installing
# MathJax. However, it is strongly recommended to install a local copy of
# MathJax from http://www.mathjax.org before deployment.
# The default value is: http://cdn.mathjax.org/mathjax/latest.
# This tag requires that the tag USE_MATHJAX is set to YES.
MATHJAX_RELPATH = http://cdn.mathjax.org/mathjax/latest
# The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax
# extension names that should be enabled during MathJax rendering. For example
# MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols
# This tag requires that the tag USE_MATHJAX is set to YES.
MATHJAX_EXTENSIONS =
# The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces
# of code that will be used on startup of the MathJax code. See the MathJax site
# (see: http://docs.mathjax.org/en/latest/output.html) for more details. For an
# example see the documentation.
# This tag requires that the tag USE_MATHJAX is set to YES.
MATHJAX_CODEFILE =
# When the SEARCHENGINE tag is enabled doxygen will generate a search box for
# the HTML output. The underlying search engine uses javascript and DHTML and
# should work on any modern browser. Note that when using HTML help
# (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET)
# there is already a search function so this one should typically be disabled.
# For large projects the javascript based search engine can be slow, then
# enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to
# search using the keyboard; to jump to the search box use + S
# (what the is depends on the OS and browser, but it is typically
# , /, or both). Inside the search box use the to jump into the search results window, the results can be navigated
# using the . Press to select an item or to cancel
# the search. The filter options can be selected when the cursor is inside the
# search box by pressing +. Also here use the
# to select a filter and or to activate or cancel the filter
# option.
# The default value is: YES.
# This tag requires that the tag GENERATE_HTML is set to YES.
SEARCHENGINE = YES
# When the SERVER_BASED_SEARCH tag is enabled the search engine will be
# implemented using a web server instead of a web client using Javascript. There
# are two flavors of web server based searching depending on the EXTERNAL_SEARCH
# setting. When disabled, doxygen will generate a PHP script for searching and
# an index file used by the script. When EXTERNAL_SEARCH is enabled the indexing
# and searching needs to be provided by external tools. See the section
# "External Indexing and Searching" for details.
# The default value is: NO.
# This tag requires that the tag SEARCHENGINE is set to YES.
SERVER_BASED_SEARCH = NO
# When EXTERNAL_SEARCH tag is enabled doxygen will no longer generate the PHP
# script for searching. Instead the search results are written to an XML file
# which needs to be processed by an external indexer. Doxygen will invoke an
# external search engine pointed to by the SEARCHENGINE_URL option to obtain the
# search results.
#
# Doxygen ships with an example indexer (doxyindexer) and search engine
# (doxysearch.cgi) which are based on the open source search engine library
# Xapian (see: http://xapian.org/).
#
# See the section "External Indexing and Searching" for details.
# The default value is: NO.
# This tag requires that the tag SEARCHENGINE is set to YES.
EXTERNAL_SEARCH = NO
# The SEARCHENGINE_URL should point to a search engine hosted by a web server
# which will return the search results when EXTERNAL_SEARCH is enabled.
#
# Doxygen ships with an example indexer (doxyindexer) and search engine
# (doxysearch.cgi) which are based on the open source search engine library
# Xapian (see: http://xapian.org/). See the section "External Indexing and
# Searching" for details.
# This tag requires that the tag SEARCHENGINE is set to YES.
SEARCHENGINE_URL =
# When SERVER_BASED_SEARCH and EXTERNAL_SEARCH are both enabled the unindexed
# search data is written to a file for indexing by an external tool. With the
# SEARCHDATA_FILE tag the name of this file can be specified.
# The default file is: searchdata.xml.
# This tag requires that the tag SEARCHENGINE is set to YES.
SEARCHDATA_FILE = searchdata.xml
# When SERVER_BASED_SEARCH and EXTERNAL_SEARCH are both enabled the
# EXTERNAL_SEARCH_ID tag can be used as an identifier for the project. This is
# useful in combination with EXTRA_SEARCH_MAPPINGS to search through multiple
# projects and redirect the results back to the right project.
# This tag requires that the tag SEARCHENGINE is set to YES.
EXTERNAL_SEARCH_ID =
# The EXTRA_SEARCH_MAPPINGS tag can be used to enable searching through doxygen
# projects other than the one defined by this configuration file, but that are
# all added to the same external search index. Each project needs to have a
# unique id set via EXTERNAL_SEARCH_ID. The search mapping then maps the id of
# to a relative location where the documentation can be found. The format is:
# EXTRA_SEARCH_MAPPINGS = tagname1=loc1 tagname2=loc2 ...
# This tag requires that the tag SEARCHENGINE is set to YES.
EXTRA_SEARCH_MAPPINGS =
#---------------------------------------------------------------------------
# Configuration options related to the LaTeX output
#---------------------------------------------------------------------------
# If the GENERATE_LATEX tag is set to YES, doxygen will generate LaTeX output.
# The default value is: YES.
GENERATE_LATEX = NO
# The LATEX_OUTPUT tag is used to specify where the LaTeX docs will be put. If a
# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
# it.
# The default directory is: latex.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_OUTPUT = latex
# The LATEX_CMD_NAME tag can be used to specify the LaTeX command name to be
# invoked.
#
# Note that when enabling USE_PDFLATEX this option is only used for generating
# bitmaps for formulas in the HTML output, but not in the Makefile that is
# written to the output directory.
# The default file is: latex.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_CMD_NAME = latex
# The MAKEINDEX_CMD_NAME tag can be used to specify the command name to generate
# index for LaTeX.
# The default file is: makeindex.
# This tag requires that the tag GENERATE_LATEX is set to YES.
MAKEINDEX_CMD_NAME = makeindex
# If the COMPACT_LATEX tag is set to YES, doxygen generates more compact LaTeX
# documents. This may be useful for small projects and may help to save some
# trees in general.
# The default value is: NO.
# This tag requires that the tag GENERATE_LATEX is set to YES.
COMPACT_LATEX = NO
# The PAPER_TYPE tag can be used to set the paper type that is used by the
# printer.
# Possible values are: a4 (210 x 297 mm), letter (8.5 x 11 inches), legal (8.5 x
# 14 inches) and executive (7.25 x 10.5 inches).
# The default value is: a4.
# This tag requires that the tag GENERATE_LATEX is set to YES.
PAPER_TYPE = a4wide
# The EXTRA_PACKAGES tag can be used to specify one or more LaTeX package names
# that should be included in the LaTeX output. To get the times font for
# instance you can specify
# EXTRA_PACKAGES=times
# If left blank no extra packages will be included.
# This tag requires that the tag GENERATE_LATEX is set to YES.
EXTRA_PACKAGES =
# The LATEX_HEADER tag can be used to specify a personal LaTeX header for the
# generated LaTeX document. The header should contain everything until the first
# chapter. If it is left blank doxygen will generate a standard header. See
# section "Doxygen usage" for information on how to let doxygen write the
# default header to a separate file.
#
# Note: Only use a user-defined header if you know what you are doing! The
# following commands have a special meaning inside the header: $title,
# $datetime, $date, $doxygenversion, $projectname, $projectnumber,
# $projectbrief, $projectlogo. Doxygen will replace $title with the empty
# string, for the replacement values of the other commands the user is referred
# to HTML_HEADER.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_HEADER =
# The LATEX_FOOTER tag can be used to specify a personal LaTeX footer for the
# generated LaTeX document. The footer should contain everything after the last
# chapter. If it is left blank doxygen will generate a standard footer. See
# LATEX_HEADER for more information on how to generate a default footer and what
# special commands can be used inside the footer.
#
# Note: Only use a user-defined footer if you know what you are doing!
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_FOOTER =
# The LATEX_EXTRA_STYLESHEET tag can be used to specify additional user-defined
# LaTeX style sheets that are included after the standard style sheets created
# by doxygen. Using this option one can overrule certain style aspects. Doxygen
# will copy the style sheet files to the output directory.
# Note: The order of the extra style sheet files is of importance (e.g. the last
# style sheet in the list overrules the setting of the previous ones in the
# list).
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_EXTRA_STYLESHEET =
# The LATEX_EXTRA_FILES tag can be used to specify one or more extra images or
# other source files which should be copied to the LATEX_OUTPUT output
# directory. Note that the files will be copied as-is; there are no commands or
# markers available.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_EXTRA_FILES =
# If the PDF_HYPERLINKS tag is set to YES, the LaTeX that is generated is
# prepared for conversion to PDF (using ps2pdf or pdflatex). The PDF file will
# contain links (just like the HTML output) instead of page references. This
# makes the output suitable for online browsing using a PDF viewer.
# The default value is: YES.
# This tag requires that the tag GENERATE_LATEX is set to YES.
PDF_HYPERLINKS = YES
# If the USE_PDFLATEX tag is set to YES, doxygen will use pdflatex to generate
# the PDF file directly from the LaTeX files. Set this option to YES, to get a
# higher quality PDF documentation.
# The default value is: YES.
# This tag requires that the tag GENERATE_LATEX is set to YES.
USE_PDFLATEX = YES
# If the LATEX_BATCHMODE tag is set to YES, doxygen will add the \batchmode
# command to the generated LaTeX files. This will instruct LaTeX to keep running
# if errors occur, instead of asking the user for help. This option is also used
# when generating formulas in HTML.
# The default value is: NO.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_BATCHMODE = NO
# If the LATEX_HIDE_INDICES tag is set to YES then doxygen will not include the
# index chapters (such as File Index, Compound Index, etc.) in the output.
# The default value is: NO.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_HIDE_INDICES = NO
# If the LATEX_SOURCE_CODE tag is set to YES then doxygen will include source
# code with syntax highlighting in the LaTeX output.
#
# Note that which sources are shown also depends on other settings such as
# SOURCE_BROWSER.
# The default value is: NO.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_SOURCE_CODE = NO
# The LATEX_BIB_STYLE tag can be used to specify the style to use for the
# bibliography, e.g. plainnat, or ieeetr. See
# http://en.wikipedia.org/wiki/BibTeX and \cite for more info.
# The default value is: plain.
# This tag requires that the tag GENERATE_LATEX is set to YES.
LATEX_BIB_STYLE = plain
#---------------------------------------------------------------------------
# Configuration options related to the RTF output
#---------------------------------------------------------------------------
# If the GENERATE_RTF tag is set to YES, doxygen will generate RTF output. The
# RTF output is optimized for Word 97 and may not look too pretty with other RTF
# readers/editors.
# The default value is: NO.
GENERATE_RTF = NO
# The RTF_OUTPUT tag is used to specify where the RTF docs will be put. If a
# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
# it.
# The default directory is: rtf.
# This tag requires that the tag GENERATE_RTF is set to YES.
RTF_OUTPUT = rtf
# If the COMPACT_RTF tag is set to YES, doxygen generates more compact RTF
# documents. This may be useful for small projects and may help to save some
# trees in general.
# The default value is: NO.
# This tag requires that the tag GENERATE_RTF is set to YES.
COMPACT_RTF = NO
# If the RTF_HYPERLINKS tag is set to YES, the RTF that is generated will
# contain hyperlink fields. The RTF file will contain links (just like the HTML
# output) instead of page references. This makes the output suitable for online
# browsing using Word or some other Word compatible readers that support those
# fields.
#
# Note: WordPad (write) and others do not support links.
# The default value is: NO.
# This tag requires that the tag GENERATE_RTF is set to YES.
RTF_HYPERLINKS = NO
# Load stylesheet definitions from file. Syntax is similar to doxygen's config
# file, i.e. a series of assignments. You only have to provide replacements,
# missing definitions are set to their default value.
#
# See also section "Doxygen usage" for information on how to generate the
# default style sheet that doxygen normally uses.
# This tag requires that the tag GENERATE_RTF is set to YES.
RTF_STYLESHEET_FILE =
# Set optional variables used in the generation of an RTF document. Syntax is
# similar to doxygen's config file. A template extensions file can be generated
# using doxygen -e rtf extensionFile.
# This tag requires that the tag GENERATE_RTF is set to YES.
RTF_EXTENSIONS_FILE =
# If the RTF_SOURCE_CODE tag is set to YES then doxygen will include source code
# with syntax highlighting in the RTF output.
#
# Note that which sources are shown also depends on other settings such as
# SOURCE_BROWSER.
# The default value is: NO.
# This tag requires that the tag GENERATE_RTF is set to YES.
RTF_SOURCE_CODE = NO
#---------------------------------------------------------------------------
# Configuration options related to the man page output
#---------------------------------------------------------------------------
# If the GENERATE_MAN tag is set to YES, doxygen will generate man pages for
# classes and files.
# The default value is: NO.
GENERATE_MAN = NO
# The MAN_OUTPUT tag is used to specify where the man pages will be put. If a
# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
# it. A directory man3 will be created inside the directory specified by
# MAN_OUTPUT.
# The default directory is: man.
# This tag requires that the tag GENERATE_MAN is set to YES.
MAN_OUTPUT = man
# The MAN_EXTENSION tag determines the extension that is added to the generated
# man pages. In case the manual section does not start with a number, the number
# 3 is prepended. The dot (.) at the beginning of the MAN_EXTENSION tag is
# optional.
# The default value is: .3.
# This tag requires that the tag GENERATE_MAN is set to YES.
MAN_EXTENSION = .3
# The MAN_SUBDIR tag determines the name of the directory created within
# MAN_OUTPUT in which the man pages are placed. If defaults to man followed by
# MAN_EXTENSION with the initial . removed.
# This tag requires that the tag GENERATE_MAN is set to YES.
MAN_SUBDIR =
# If the MAN_LINKS tag is set to YES and doxygen generates man output, then it
# will generate one additional man file for each entity documented in the real
# man page(s). These additional files only source the real man page, but without
# them the man command would be unable to find the correct page.
# The default value is: NO.
# This tag requires that the tag GENERATE_MAN is set to YES.
MAN_LINKS = NO
#---------------------------------------------------------------------------
# Configuration options related to the XML output
#---------------------------------------------------------------------------
# If the GENERATE_XML tag is set to YES, doxygen will generate an XML file that
# captures the structure of the code including all documentation.
# The default value is: NO.
GENERATE_XML = NO
# The XML_OUTPUT tag is used to specify where the XML pages will be put. If a
# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
# it.
# The default directory is: xml.
# This tag requires that the tag GENERATE_XML is set to YES.
XML_OUTPUT = xml
# If the XML_PROGRAMLISTING tag is set to YES, doxygen will dump the program
# listings (including syntax highlighting and cross-referencing information) to
# the XML output. Note that enabling this will significantly increase the size
# of the XML output.
# The default value is: YES.
# This tag requires that the tag GENERATE_XML is set to YES.
XML_PROGRAMLISTING = YES
#---------------------------------------------------------------------------
# Configuration options related to the DOCBOOK output
#---------------------------------------------------------------------------
# If the GENERATE_DOCBOOK tag is set to YES, doxygen will generate Docbook files
# that can be used to generate PDF.
# The default value is: NO.
GENERATE_DOCBOOK = NO
# The DOCBOOK_OUTPUT tag is used to specify where the Docbook pages will be put.
# If a relative path is entered the value of OUTPUT_DIRECTORY will be put in
# front of it.
# The default directory is: docbook.
# This tag requires that the tag GENERATE_DOCBOOK is set to YES.
DOCBOOK_OUTPUT = docbook
# If the DOCBOOK_PROGRAMLISTING tag is set to YES, doxygen will include the
# program listings (including syntax highlighting and cross-referencing
# information) to the DOCBOOK output. Note that enabling this will significantly
# increase the size of the DOCBOOK output.
# The default value is: NO.
# This tag requires that the tag GENERATE_DOCBOOK is set to YES.
DOCBOOK_PROGRAMLISTING = NO
#---------------------------------------------------------------------------
# Configuration options for the AutoGen Definitions output
#---------------------------------------------------------------------------
# If the GENERATE_AUTOGEN_DEF tag is set to YES, doxygen will generate an
# AutoGen Definitions (see http://autogen.sf.net) file that captures the
# structure of the code including all documentation. Note that this feature is
# still experimental and incomplete at the moment.
# The default value is: NO.
GENERATE_AUTOGEN_DEF = NO
#---------------------------------------------------------------------------
# Configuration options related to the Perl module output
#---------------------------------------------------------------------------
# If the GENERATE_PERLMOD tag is set to YES, doxygen will generate a Perl module
# file that captures the structure of the code including all documentation.
#
# Note that this feature is still experimental and incomplete at the moment.
# The default value is: NO.
GENERATE_PERLMOD = NO
# If the PERLMOD_LATEX tag is set to YES, doxygen will generate the necessary
# Makefile rules, Perl scripts and LaTeX code to be able to generate PDF and DVI
# output from the Perl module output.
# The default value is: NO.
# This tag requires that the tag GENERATE_PERLMOD is set to YES.
PERLMOD_LATEX = NO
# If the PERLMOD_PRETTY tag is set to YES, the Perl module output will be nicely
# formatted so it can be parsed by a human reader. This is useful if you want to
# understand what is going on. On the other hand, if this tag is set to NO, the
# size of the Perl module output will be much smaller and Perl will parse it
# just the same.
# The default value is: YES.
# This tag requires that the tag GENERATE_PERLMOD is set to YES.
PERLMOD_PRETTY = YES
# The names of the make variables in the generated doxyrules.make file are
# prefixed with the string contained in PERLMOD_MAKEVAR_PREFIX. This is useful
# so different doxyrules.make files included by the same Makefile don't
# overwrite each other's variables.
# This tag requires that the tag GENERATE_PERLMOD is set to YES.
PERLMOD_MAKEVAR_PREFIX =
#---------------------------------------------------------------------------
# Configuration options related to the preprocessor
#---------------------------------------------------------------------------
# If the ENABLE_PREPROCESSING tag is set to YES, doxygen will evaluate all
# C-preprocessor directives found in the sources and include files.
# The default value is: YES.
ENABLE_PREPROCESSING = YES
# If the MACRO_EXPANSION tag is set to YES, doxygen will expand all macro names
# in the source code. If set to NO, only conditional compilation will be
# performed. Macro expansion can be done in a controlled way by setting
# EXPAND_ONLY_PREDEF to YES.
# The default value is: NO.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
MACRO_EXPANSION = NO
# If the EXPAND_ONLY_PREDEF and MACRO_EXPANSION tags are both set to YES then
# the macro expansion is limited to the macros specified with the PREDEFINED and
# EXPAND_AS_DEFINED tags.
# The default value is: NO.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
EXPAND_ONLY_PREDEF = NO
# If the SEARCH_INCLUDES tag is set to YES, the include files in the
# INCLUDE_PATH will be searched if a #include is found.
# The default value is: YES.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
SEARCH_INCLUDES = YES
# The INCLUDE_PATH tag can be used to specify one or more directories that
# contain include files that are not input files but should be processed by the
# preprocessor.
# This tag requires that the tag SEARCH_INCLUDES is set to YES.
INCLUDE_PATH =
# You can use the INCLUDE_FILE_PATTERNS tag to specify one or more wildcard
# patterns (like *.h and *.hpp) to filter out the header-files in the
# directories. If left blank, the patterns specified with FILE_PATTERNS will be
# used.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
INCLUDE_FILE_PATTERNS =
# The PREDEFINED tag can be used to specify one or more macro names that are
# defined before the preprocessor is started (similar to the -D option of e.g.
# gcc). The argument of the tag is a list of macros of the form: name or
# name=definition (no spaces). If the definition and the "=" are omitted, "=1"
# is assumed. To prevent a macro definition from being undefined via #undef or
# recursively expanded use the := operator instead of the = operator.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
PREDEFINED =
# If the MACRO_EXPANSION and EXPAND_ONLY_PREDEF tags are set to YES then this
# tag can be used to specify a list of macro names that should be expanded. The
# macro definition that is found in the sources will be used. Use the PREDEFINED
# tag if you want to use a different macro definition that overrules the
# definition found in the source code.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
EXPAND_AS_DEFINED =
# If the SKIP_FUNCTION_MACROS tag is set to YES then doxygen's preprocessor will
# remove all references to function-like macros that are alone on a line, have
# an all uppercase name, and do not end with a semicolon. Such function macros
# are typically used for boiler-plate code, and will confuse the parser if not
# removed.
# The default value is: YES.
# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
SKIP_FUNCTION_MACROS = YES
#---------------------------------------------------------------------------
# Configuration options related to external references
#---------------------------------------------------------------------------
# The TAGFILES tag can be used to specify one or more tag files. For each tag
# file the location of the external documentation should be added. The format of
# a tag file without this location is as follows:
# TAGFILES = file1 file2 ...
# Adding location for the tag files is done as follows:
# TAGFILES = file1=loc1 "file2 = loc2" ...
# where loc1 and loc2 can be relative or absolute paths or URLs. See the
# section "Linking to external documentation" for more information about the use
# of tag files.
# Note: Each tag file must have a unique name (where the name does NOT include
# the path). If a tag file is not located in the directory in which doxygen is
# run, you must also specify the path to the tagfile here.
TAGFILES =
# When a file name is specified after GENERATE_TAGFILE, doxygen will create a
# tag file that is based on the input files it reads. See section "Linking to
# external documentation" for more information about the usage of tag files.
GENERATE_TAGFILE =
# If the ALLEXTERNALS tag is set to YES, all external class will be listed in
# the class index. If set to NO, only the inherited external classes will be
# listed.
# The default value is: NO.
ALLEXTERNALS = NO
# If the EXTERNAL_GROUPS tag is set to YES, all external groups will be listed
# in the modules index. If set to NO, only the current project's groups will be
# listed.
# The default value is: YES.
EXTERNAL_GROUPS = YES
# If the EXTERNAL_PAGES tag is set to YES, all external pages will be listed in
# the related pages index. If set to NO, only the current project's pages will
# be listed.
# The default value is: YES.
EXTERNAL_PAGES = YES
# The PERL_PATH should be the absolute path and name of the perl script
# interpreter (i.e. the result of 'which perl').
# The default file (with absolute path) is: /usr/bin/perl.
PERL_PATH = /usr/bin/perl
#---------------------------------------------------------------------------
# Configuration options related to the dot tool
#---------------------------------------------------------------------------
# If the CLASS_DIAGRAMS tag is set to YES, doxygen will generate a class diagram
# (in HTML and LaTeX) for classes with base or super classes. Setting the tag to
# NO turns the diagrams off. Note that this option also works with HAVE_DOT
# disabled, but it is recommended to install and use dot, since it yields more
# powerful graphs.
# The default value is: YES.
CLASS_DIAGRAMS = NO
# You can define message sequence charts within doxygen comments using the \msc
# command. Doxygen will then run the mscgen tool (see:
# http://www.mcternan.me.uk/mscgen/)) to produce the chart and insert it in the
# documentation. The MSCGEN_PATH tag allows you to specify the directory where
# the mscgen tool resides. If left empty the tool is assumed to be found in the
# default search path.
MSCGEN_PATH =
# You can include diagrams made with dia in doxygen documentation. Doxygen will
# then run dia to produce the diagram and insert it in the documentation. The
# DIA_PATH tag allows you to specify the directory where the dia binary resides.
# If left empty dia is assumed to be found in the default search path.
DIA_PATH =
# If set to YES the inheritance and collaboration graphs will hide inheritance
# and usage relations if the target is undocumented or is not a class.
# The default value is: YES.
HIDE_UNDOC_RELATIONS = YES
# If you set the HAVE_DOT tag to YES then doxygen will assume the dot tool is
# available from the path. This tool is part of Graphviz (see:
# http://www.graphviz.org/), a graph visualization toolkit from AT&T and Lucent
# Bell Labs. The other options in this section have no effect if this option is
# set to NO
# The default value is: NO.
HAVE_DOT = @DOXYGEN_DOT_FOUND@
# The DOT_NUM_THREADS specifies the number of dot invocations doxygen is allowed
# to run in parallel. When set to 0 doxygen will base this on the number of
# processors available in the system. You can set it explicitly to a value
# larger than 0 to get control over the balance between CPU load and processing
# speed.
# Minimum value: 0, maximum value: 32, default value: 0.
# This tag requires that the tag HAVE_DOT is set to YES.
DOT_NUM_THREADS = 0
# When you want a differently looking font in the dot files that doxygen
# generates you can specify the font name using DOT_FONTNAME. You need to make
# sure dot is able to find the font, which can be done by putting it in a
# standard location or by setting the DOTFONTPATH environment variable or by
# setting DOT_FONTPATH to the directory containing the font.
# The default value is: Helvetica.
# This tag requires that the tag HAVE_DOT is set to YES.
DOT_FONTNAME = FreeSans
# The DOT_FONTSIZE tag can be used to set the size (in points) of the font of
# dot graphs.
# Minimum value: 4, maximum value: 24, default value: 10.
# This tag requires that the tag HAVE_DOT is set to YES.
DOT_FONTSIZE = 10
# By default doxygen will tell dot to use the default font as specified with
# DOT_FONTNAME. If you specify a different font using DOT_FONTNAME you can set
# the path where dot can find it using this tag.
# This tag requires that the tag HAVE_DOT is set to YES.
DOT_FONTPATH =
# If the CLASS_GRAPH tag is set to YES then doxygen will generate a graph for
# each documented class showing the direct and indirect inheritance relations.
# Setting this tag to YES will force the CLASS_DIAGRAMS tag to NO.
# The default value is: YES.
# This tag requires that the tag HAVE_DOT is set to YES.
CLASS_GRAPH = YES
# If the COLLABORATION_GRAPH tag is set to YES then doxygen will generate a
# graph for each documented class showing the direct and indirect implementation
# dependencies (inheritance, containment, and class references variables) of the
# class with other documented classes.
# The default value is: YES.
# This tag requires that the tag HAVE_DOT is set to YES.
COLLABORATION_GRAPH = YES
# If the GROUP_GRAPHS tag is set to YES then doxygen will generate a graph for
# groups, showing the direct groups dependencies.
# The default value is: YES.
# This tag requires that the tag HAVE_DOT is set to YES.
GROUP_GRAPHS = YES
# If the UML_LOOK tag is set to YES, doxygen will generate inheritance and
# collaboration diagrams in a style similar to the OMG's Unified Modeling
# Language.
# The default value is: NO.
# This tag requires that the tag HAVE_DOT is set to YES.
UML_LOOK = NO
# If the UML_LOOK tag is enabled, the fields and methods are shown inside the
# class node. If there are many fields or methods and many nodes the graph may
# become too big to be useful. The UML_LIMIT_NUM_FIELDS threshold limits the
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tiledarray-0.6.0/doc/mainpage.dox 0000664 0000000 0000000 00000000261 13016354706 0016723 0 ustar 00root root 0000000 0000000 /// \file mainpage.dox
/// \brief TiledArray Framework
/** \mainpage
\section Overview
TiledArray is a scalable generic implementation of block-sparse tensor arithmetic.
*/
tiledarray-0.6.0/examples/ 0000775 0000000 0000000 00000000000 13016354706 0015500 5 ustar 00root root 0000000 0000000 tiledarray-0.6.0/examples/CMakeLists.txt 0000664 0000000 0000000 00000002133 13016354706 0020237 0 ustar 00root root 0000000 0000000 #
# This file is a part of TiledArray.
# Copyright (C) 2013 Virginia Tech
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see )
target_include_directories(inputlib PRIVATE
$;${EIGEN3_INCLUDE_DIR})
target_compile_options(inputlib PRIVATE
$)
add_dependencies(inputlib External)
# Add the ccd executable
add_executable(ccd EXCLUDE_FROM_ALL ccd.cpp $)
target_link_libraries(ccd PRIVATE tiledarray)
add_dependencies(ccd External)
add_dependencies(example ccd)
# Add the ccsd executable
add_executable(ccsd EXCLUDE_FROM_ALL ccsd.cpp $)
target_link_libraries(ccsd PRIVATE tiledarray)
add_dependencies(ccsd External)
add_dependencies(example ccsd)
tiledarray-0.6.0/examples/cc/README 0000664 0000000 0000000 00000000266 13016354706 0016751 0 ustar 00root root 0000000 0000000 This directory contains a proof of concept program for performs a CCD and CCSD
calculation on H2O. It is not optimal and is not designed to anything more than
these two calculations. tiledarray-0.6.0/examples/cc/ccd.cpp 0000664 0000000 0000000 00000033726 13016354706 0017335 0 ustar 00root root 0000000 0000000 /*
* This file is a part of TiledArray.
* Copyright (C) 2013 Virginia Tech
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see
#include
#include "input_data.h"
using namespace TiledArray;
using namespace TiledArray::expressions;
int main(int argc, char** argv) {
// Initialize runtime
TiledArray::World& world = TiledArray::initialize(argc, argv);
std::string file_name = argv[1];
// Open input file.
std::ifstream input(file_name.c_str());
if(! input.fail()) {
// Read input data.
if(world.rank() == 0)
std::cout << "Reading input...";
InputData data(input);
input.close();
if(world.rank() == 0)
std::cout << " done.\nConstructing Fock tensors...";
// Construct Fock tensor
TiledArray::TSpArrayD f_a_oo = data.make_f(world, alpha, occ, occ);
TiledArray::TSpArrayD f_a_vv = data.make_f(world, alpha, vir, vir);
// Just make references to the data since the input is closed shell.
TiledArray::TSpArrayD& f_b_oo = f_a_oo;
TiledArray::TSpArrayD& f_b_vv = f_a_vv;
// Fence to make sure Fock tensors are initialized on all nodes
world.gop.fence();
if(world.rank() == 0)
std::cout << " done.\nConstructing v_ab tensors...";
// Construct the integral tensors
TiledArray::TSpArrayD v_ab_oooo = data.make_v_ab(world, occ, occ, occ, occ);
TiledArray::TSpArrayD v_ab_vvoo = data.make_v_ab(world, vir, vir, occ, occ);
TiledArray::TSpArrayD v_ab_oovv = data.make_v_ab(world, occ, occ, vir, vir);
TiledArray::TSpArrayD v_ab_vovo = data.make_v_ab(world, vir, occ, vir, occ);
TiledArray::TSpArrayD v_ab_ovov = data.make_v_ab(world, occ, vir, occ, vir);
TiledArray::TSpArrayD v_ab_voov = data.make_v_ab(world, vir, occ, occ, vir);
TiledArray::TSpArrayD v_ab_ovvo = data.make_v_ab(world, occ, vir, vir, occ);
TiledArray::TSpArrayD v_ab_vvvv = data.make_v_ab(world, vir, vir, vir, vir);
// Fence to make sure data on all nodes has been initialized
world.gop.fence();
if(world.rank() == 0)
std::cout << " done.\nConstructing v_aa and v_bb tensors...";
TiledArray::TSpArrayD v_aa_oooo;
v_aa_oooo("i,j,k,l") = v_ab_oooo("i,j,k,l") - v_ab_oooo("i,j,l,k");
TiledArray::TSpArrayD v_aa_vvoo;
v_aa_vvoo("a,b,i,j") = v_ab_vvoo("a,b,i,j") - v_ab_vvoo("a,b,j,i");
TiledArray::TSpArrayD v_aa_vovo;
v_aa_vovo("a,i,b,j") = v_ab_vovo("a,i,b,j") - v_ab_voov("a,i,j,b");
TiledArray::TSpArrayD v_aa_oovv;
v_aa_oovv("i,j,a,b") = v_ab_oovv("i,j,a,b") - v_ab_oovv("i,j,b,a");
TiledArray::TSpArrayD v_aa_vvvv;
v_aa_vvvv("a,b,c,d") = v_ab_vvvv("a,b,c,d") - v_ab_vvvv("a,b,d,c");
// Just make references to the data since the input is closed shell.
TiledArray::TSpArrayD& v_bb_oooo = v_aa_oooo;
TiledArray::TSpArrayD& v_bb_vvoo = v_aa_vvoo;
TiledArray::TSpArrayD& v_bb_vovo = v_aa_vovo;
TiledArray::TSpArrayD& v_bb_oovv = v_aa_oovv;
TiledArray::TSpArrayD& v_bb_vvvv = v_aa_vvvv;
// Fence again to make sure data all the integral tensors have been initialized
world.gop.fence();
if(world.rank() == 0)
std::cout << " done.\n";
TiledArray::TSpArrayD t_aa_vvoo(world, v_aa_vvoo.trange(), v_aa_vvoo.shape());
for(auto it = t_aa_vvoo.range().begin(); it != t_aa_vvoo.range().end(); ++it)
if(t_aa_vvoo.is_local(*it) && (! t_aa_vvoo.is_zero(*it)))
t_aa_vvoo.set(*it, 0.0);
TiledArray::TSpArrayD t_ab_vvoo(world, v_ab_vvoo.trange(), v_ab_vvoo.shape());
for(auto it = t_ab_vvoo.range().begin(); it != t_ab_vvoo.range().end(); ++it)
if(t_ab_vvoo.is_local(*it) && (! t_ab_vvoo.is_zero(*it)))
t_ab_vvoo.set(*it, 0.0);
TiledArray::TSpArrayD t_bb_vvoo(world, v_bb_vvoo.trange(), v_bb_vvoo.shape());
for(auto it = t_bb_vvoo.range().begin(); it != t_bb_vvoo.range().end(); ++it)
if(t_bb_vvoo.is_local(*it) && (! t_bb_vvoo.is_zero(*it)))
t_bb_vvoo.set(*it, 0.0);
TiledArray::TSpArrayD D_vvoo(world, v_ab_vvoo.trange(), v_ab_vvoo.shape());
for(auto it = D_vvoo.range().begin(); it != D_vvoo.range().end(); ++it)
if(D_vvoo.is_local(*it) && (! D_vvoo.is_zero(*it)))
D_vvoo.set(*it, world.taskq.add(data, & InputData::make_D_vvoo_tile, D_vvoo.trange().make_tiles_range(*it)));
world.gop.fence();
data.clear();
if(world.rank() == 0)
std::cout << "Calculating t amplitudes...\n";
double energy = 0.0;
for(unsigned int i = 0ul; i < 100; ++i) {
if(world.rank() == 0)
std::cout << "Iteration " << i << "\n";
TiledArray::TSpArrayD r_aa_vvoo;
r_aa_vvoo("p1a,p2a,h1a,h2a") =
v_aa_vvoo("p1a,p2a,h1a,h2a")
-f_a_vv("p1a,p3a")*t_aa_vvoo("p2a,p3a,h1a,h2a")
+f_a_vv("p2a,p3a")*t_aa_vvoo("p1a,p3a,h1a,h2a")
+f_a_oo("h3a,h1a")*t_aa_vvoo("p1a,p2a,h2a,h3a")
-f_a_oo("h3a,h2a")*t_aa_vvoo("p1a,p2a,h1a,h3a")
+0.5*t_aa_vvoo("p3a,p4a,h1a,h2a")*v_aa_vvvv("p1a,p2a,p3a,p4a")
+v_ab_voov("p1a,h3b,h1a,p3b")*t_ab_vvoo("p2a,p3b,h2a,h3b")
-v_aa_vovo("p1a,h3a,p3a,h1a")*t_aa_vvoo("p2a,p3a,h2a,h3a")
-v_ab_voov("p1a,h3b,h2a,p3b")*t_ab_vvoo("p2a,p3b,h1a,h3b")
+v_aa_vovo("p1a,h3a,p3a,h2a")*t_aa_vvoo("p2a,p3a,h1a,h3a")
-v_ab_voov("p2a,h3b,h1a,p3b")*t_ab_vvoo("p1a,p3b,h2a,h3b")
+v_aa_vovo("p2a,h3a,p3a,h1a")*t_aa_vvoo("p1a,p3a,h2a,h3a")
+v_ab_voov("p2a,h3b,h2a,p3b")*t_ab_vvoo("p1a,p3b,h1a,h3b")
-v_aa_vovo("p2a,h3a,p3a,h2a")*t_aa_vvoo("p1a,p3a,h1a,h3a")
+0.5*v_aa_oooo("h3a,h4a,h1a,h2a")*t_aa_vvoo("p1a,p2a,h3a,h4a")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p2a,p4b,h3a,h4b")*t_aa_vvoo("p1a,p3a,h1a,h2a")
-0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p2a,p4a,h3a,h4a")*t_aa_vvoo("p1a,p3a,h1a,h2a")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p1a,p4b,h3a,h4b")*t_aa_vvoo("p2a,p3a,h1a,h2a")
+0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p1a,p4a,h3a,h4a")*t_aa_vvoo("p2a,p3a,h1a,h2a")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h2a,h4b")*t_aa_vvoo("p1a,p2a,h1a,h3a")
-0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p3a,p4a,h2a,h4a")*t_aa_vvoo("p1a,p2a,h1a,h3a")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h1a,h4b")*t_aa_vvoo("p1a,p2a,h2a,h3a")
-0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p3a,p4a,h1a,h3a")*t_aa_vvoo("p1a,p2a,h2a,h4a")
+0.25*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p3a,p4a,h1a,h2a")*t_aa_vvoo("p1a,p2a,h3a,h4a")
+v_bb_oovv("h3b,h4b,p3b,p4b")*t_ab_vvoo("p1a,p3b,h1a,h3b")*t_ab_vvoo("p2a,p4b,h2a,h4b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p1a,p4b,h1a,h4b")*t_aa_vvoo("p2a,p3a,h2a,h3a")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_aa_vvoo("p1a,p3a,h1a,h3a")*t_ab_vvoo("p2a,p4b,h2a,h4b")
+v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p1a,p3a,h1a,h3a")*t_aa_vvoo("p2a,p4a,h2a,h4a")
-v_bb_oovv("h3b,h4b,p3b,p4b")*t_ab_vvoo("p2a,p3b,h1a,h3b")*t_ab_vvoo("p1a,p4b,h2a,h4b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p2a,p4b,h1a,h4b")*t_aa_vvoo("p1a,p3a,h2a,h3a")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_aa_vvoo("p2a,p3a,h1a,h3a")*t_ab_vvoo("p1a,p4b,h2a,h4b")
-v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p2a,p3a,h1a,h3a")*t_aa_vvoo("p1a,p4a,h2a,h4a");
world.gop.fence();
TiledArray::TSpArrayD r_ab_vvoo;
r_ab_vvoo("p1a,p2b,h1a,h2b") =
v_ab_vvoo("p1a,p2b,h1a,h2b")
+f_a_vv("p1a,p3a")*t_ab_vvoo("p3a,p2b,h1a,h2b")
+f_b_vv("p2b,p3b")*t_ab_vvoo("p1a,p3b,h1a,h2b")
-f_a_oo("h3a,h1a")*t_ab_vvoo("p1a,p2b,h3a,h2b")
-f_b_oo("h3b,h2b")*t_ab_vvoo("p1a,p2b,h1a,h3b")
+t_ab_vvoo("p3a,p4b,h1a,h2b")*v_ab_vvvv("p1a,p2b,p3a,p4b")
+v_ab_voov("p1a,h3b,h1a,p3b")*t_bb_vvoo("p2b,p3b,h2b,h3b")
-v_aa_vovo("p1a,h3a,p3a,h1a")*t_ab_vvoo("p3a,p2b,h3a,h2b")
-v_ab_vovo("p1a,h3b,p3a,h2b")*t_ab_vvoo("p3a,p2b,h1a,h3b")
-v_ab_ovov("h3a,p2b,h1a,p3b")*t_ab_vvoo("p1a,p3b,h3a,h2b")
-v_bb_vovo("p2b,h3b,p3b,h2b")*t_ab_vvoo("p1a,p3b,h1a,h3b")
+v_ab_ovvo("h3a,p2b,p3a,h2b")*t_aa_vvoo("p1a,p3a,h1a,h3a")
+v_ab_oooo("h3a,h4b,h1a,h2b")*t_ab_vvoo("p1a,p2b,h3a,h4b")
-0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p2b,p4b,h3b,h4b")*t_ab_vvoo("p1a,p3b,h1a,h2b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p2b,h3a,h4b")*t_ab_vvoo("p1a,p4b,h1a,h2b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p1a,p4b,h3a,h4b")*t_ab_vvoo("p3a,p2b,h1a,h2b")
-0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p1a,p4a,h3a,h4a")*t_ab_vvoo("p3a,p2b,h1a,h2b")
-0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p3b,p4b,h2b,h4b")*t_ab_vvoo("p1a,p2b,h1a,h3b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h3a,h2b")*t_ab_vvoo("p1a,p2b,h1a,h4b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h1a,h4b")*t_ab_vvoo("p1a,p2b,h3a,h2b")
+0.5*v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p3a,p4a,h1a,h3a")*t_ab_vvoo("p1a,p2b,h4a,h2b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h1a,h2b")*t_ab_vvoo("p1a,p2b,h3a,h4b")
+v_bb_oovv("h3b,h4b,p3b,p4b")*t_ab_vvoo("p1a,p3b,h1a,h3b")*t_bb_vvoo("p2b,p4b,h2b,h4b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p1a,p4b,h1a,h4b")*t_ab_vvoo("p3a,p2b,h3a,h2b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_aa_vvoo("p1a,p3a,h1a,h3a")*t_bb_vvoo("p2b,p4b,h2b,h4b")
+v_aa_oovv("h3a,h4a,p3a,p4a")*t_aa_vvoo("p1a,p3a,h1a,h3a")*t_ab_vvoo("p4a,p2b,h4a,h2b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p2b,h1a,h4b")*t_ab_vvoo("p1a,p4b,h3a,h2b");
world.gop.fence();
TiledArray::TSpArrayD r_bb_vvoo;
r_bb_vvoo("p1b,p2b,h1b,h2b") =
v_bb_vvoo("p1b,p2b,h1b,h2b")
-f_b_vv("p1b,p3b")*t_bb_vvoo("p2b,p3b,h1b,h2b")
+f_b_vv("p2b,p3b")*t_bb_vvoo("p1b,p3b,h1b,h2b")
+f_b_oo("h3b,h1b")*t_bb_vvoo("p1b,p2b,h2b,h3b")
-f_b_oo("h3b,h2b")*t_bb_vvoo("p1b,p2b,h1b,h3b")
+0.5*t_bb_vvoo("p3b,p4b,h1b,h2b")*v_bb_vvvv("p1b,p2b,p3b,p4b")
-v_bb_vovo("p1b,h3b,p3b,h1b")*t_bb_vvoo("p2b,p3b,h2b,h3b")
+v_ab_ovvo("h3a,p1b,p3a,h1b")*t_ab_vvoo("p3a,p2b,h3a,h2b")
+v_bb_vovo("p1b,h3b,p3b,h2b")*t_bb_vvoo("p2b,p3b,h1b,h3b")
-v_ab_ovvo("h3a,p1b,p3a,h2b")*t_ab_vvoo("p3a,p2b,h3a,h1b")
+v_bb_vovo("p2b,h3b,p3b,h1b")*t_bb_vvoo("p1b,p3b,h2b,h3b")
-v_ab_ovvo("h3a,p2b,p3a,h1b")*t_ab_vvoo("p3a,p1b,h3a,h2b")
-v_bb_vovo("p2b,h3b,p3b,h2b")*t_bb_vvoo("p1b,p3b,h1b,h3b")
+v_ab_ovvo("h3a,p2b,p3a,h2b")*t_ab_vvoo("p3a,p1b,h3a,h1b")
+0.5*v_bb_oooo("h3b,h4b,h1b,h2b")*t_bb_vvoo("p1b,p2b,h3b,h4b")
-0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p2b,p4b,h3b,h4b")*t_bb_vvoo("p1b,p3b,h1b,h2b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p2b,h3a,h4b")*t_bb_vvoo("p1b,p4b,h1b,h2b")
+0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p1b,p4b,h3b,h4b")*t_bb_vvoo("p2b,p3b,h1b,h2b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p1b,h3a,h4b")*t_bb_vvoo("p2b,p4b,h1b,h2b")
-0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p3b,p4b,h2b,h4b")*t_bb_vvoo("p1b,p2b,h1b,h3b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h3a,h2b")*t_bb_vvoo("p1b,p2b,h1b,h4b")
-0.5*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p3b,p4b,h1b,h3b")*t_bb_vvoo("p1b,p2b,h2b,h4b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p4b,h3a,h1b")*t_bb_vvoo("p1b,p2b,h2b,h4b")
+0.25*v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p3b,p4b,h1b,h2b")*t_bb_vvoo("p1b,p2b,h3b,h4b")
+v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p1b,p3b,h1b,h3b")*t_bb_vvoo("p2b,p4b,h2b,h4b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p2b,h3a,h2b")*t_bb_vvoo("p1b,p4b,h1b,h4b")
+v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p1b,h3a,h1b")*t_bb_vvoo("p2b,p4b,h2b,h4b")
+v_aa_oovv("h3a,h4a,p3a,p4a")*t_ab_vvoo("p3a,p1b,h3a,h1b")*t_ab_vvoo("p4a,p2b,h4a,h2b")
-v_bb_oovv("h3b,h4b,p3b,p4b")*t_bb_vvoo("p2b,p3b,h1b,h3b")*t_bb_vvoo("p1b,p4b,h2b,h4b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p1b,h3a,h2b")*t_bb_vvoo("p2b,p4b,h1b,h4b")
-v_ab_oovv("h3a,h4b,p3a,p4b")*t_ab_vvoo("p3a,p2b,h3a,h1b")*t_bb_vvoo("p1b,p4b,h2b,h4b")
-v_aa_oovv("h3a,h4a,p3a,p4a")*t_ab_vvoo("p3a,p2b,h3a,h1b")*t_ab_vvoo("p4a,p1b,h4a,h2b");
world.gop.fence();
t_aa_vvoo("a,b,i,j") =
D_vvoo("a,b,i,j") * r_aa_vvoo("a,b,i,j")
+ t_aa_vvoo("a,b,i,j");
t_ab_vvoo("a,b,i,j") =
D_vvoo("a,b,i,j") * r_ab_vvoo("a,b,i,j")
+ t_ab_vvoo("a,b,i,j");
t_bb_vvoo("a,b,i,j") =
D_vvoo("a,b,i,j") * r_bb_vvoo("a,b,i,j")
+ t_bb_vvoo("a,b,i,j");
const double error = (r_aa_vvoo("a,b,i,j")
+ r_ab_vvoo("a,b,i,j") + r_bb_vvoo("a,b,i,j")).norm();
energy =
0.25 * ( t_aa_vvoo("a,b,i,j").dot(v_aa_vvoo("a,b,i,j"))
+ t_bb_vvoo("a,b,i,j").dot(v_bb_vvoo("a,b,i,j"))
)
+ t_ab_vvoo("a,b,i,j").dot(v_ab_vvoo("a,b,i,j"));
world.gop.fence();
if(world.rank() == 0)
std::cout << " error = " << std::setprecision(12) << error << "\n"
<< " energy = " << std::setprecision(12) << energy << "\n";
if(error < 1.0e-10)
break;
}
if(world.rank() == 0) {
std::cout << "CCD energy = " << std::setprecision(12) << energy << "\n";
std::cout << "Done!\n";
}
} else {
std::cout << "Unable to open file: " << file_name << "\n";
// stop the madenss runtime
TiledArray::finalize();
return 1;
}
TiledArray::finalize();
return 0;
}
tiledarray-0.6.0/examples/cc/ccsd.cpp 0000664 0000000 0000000 00000131371 13016354706 0017513 0 ustar 00root root 0000000 0000000 /*
* This file is a part of TiledArray.
* Copyright (C) 2013 Virginia Tech
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see
#include
#include "input_data.h"
using namespace TiledArray;
using namespace TiledArray::expressions;
int main(int argc, char** argv) {
// Initialize runtime
TiledArray::World& world = TiledArray::initialize(argc, argv);
std::string file_name = argv[1];
// Open input file.
std::ifstream input(file_name.c_str());
if(! input.fail()) {
// Read input data.
if(world.rank() == 0)
std::cout << "Reading input...";
InputData data(input);
input.close();
if(world.rank() == 0)
std::cout << " done.\nConstructing Fock tensors...";
// Construct Fock tensor
// TArray2s f_a_oo = data.make_f(world, alpha, occ, occ);
// TArray2s f_a_vo = data.make_f(world, alpha, vir, occ);
// TArray2s f_a_ov = data.make_f(world, alpha, occ, vir);
// TArray2s f_a_vv = data.make_f(world, alpha, vir, vir);
// // Just make references to the data since the input is closed shell.
// TArray2s& f_b_oo = f_a_oo;
// TArray2s& f_b_vo = f_a_vo;
// TArray2s& f_b_ov = f_a_ov;
// TArray2s& f_b_vv = f_a_vv;
//
// // Fence to make sure Fock tensors are initialized on all nodes
// world.gop.fence();
//
// if(world.rank() == 0)
// std::cout << " done.\nConstructing v_ab tensors...";
//
// // Construct the integral tensors
// TArray4s v_ab_oooo = data.make_v_ab(world, occ, occ, occ, occ);
// TArray4s v_ab_ooov = data.make_v_ab(world, occ, occ, occ, vir);
// TArray4s v_ab_oovo = data.make_v_ab(world, occ, occ, vir, occ);
// TArray4s v_ab_ovoo = data.make_v_ab(world, occ, vir, occ, occ);
// TArray4s v_ab_vooo = data.make_v_ab(world, vir, occ, occ, occ);
// TArray4s v_ab_vvoo = data.make_v_ab(world, vir, vir, occ, occ);
// TArray4s v_ab_oovv = data.make_v_ab(world, occ, occ, vir, vir);
// TArray4s v_ab_vovo = data.make_v_ab(world, vir, occ, vir, occ);
// TArray4s v_ab_ovov = data.make_v_ab(world, occ, vir, occ, vir);
// TArray4s v_ab_voov = data.make_v_ab(world, vir, occ, occ, vir);
// TArray4s v_ab_ovvo = data.make_v_ab(world, occ, vir, vir, occ);
// TArray4s v_ab_vvvo = data.make_v_ab(world, vir, vir, vir, occ);
// TArray4s v_ab_vvov = data.make_v_ab(world, vir, vir, occ, vir);
// TArray4s v_ab_vovv = data.make_v_ab(world, vir, occ, vir, vir);
// TArray4s v_ab_ovvv = data.make_v_ab(world, occ, vir, vir, vir);
// TArray4s v_ab_vvvv = data.make_v_ab(world, vir, vir, vir, vir);
//
// // Fence to make sure data on all nodes has been initialized
// world.gop.fence();
//
// if(world.rank() == 0)
// std::cout << " done.\nConstructing v_aa and v_bb tensors...";
//
// TArray4s v_aa_oooo = v_ab_oooo("i,j,k,l") - v_ab_oooo("i,j,l,k");
// TArray4s v_aa_ooov = v_ab_ooov("i,j,k,a") - v_ab_oovo("i,j,a,k");
// TArray4s v_aa_vooo = v_ab_vooo("a,i,j,k") - v_ab_vooo("a,i,k,j");
// TArray4s v_aa_vvoo = v_ab_vvoo("a,b,i,j") - v_ab_vvoo("a,b,j,i");
// TArray4s v_aa_vovo = v_ab_vovo("a,i,b,j") - v_ab_voov("a,i,j,b");
// TArray4s v_aa_oovv = v_ab_oovv("i,j,a,b") - v_ab_oovv("i,j,b,a");
// TArray4s v_aa_voov = v_ab_voov("a,i,j,b") - v_ab_vovo("a,i,b,j");
// TArray4s v_aa_ovvo = v_ab_ovvo("i,a,b,j") - v_ab_ovov("i,a,j,b");
// TArray4s v_aa_vovv = v_ab_vovv("a,i,b,c") - v_ab_vovv("a,i,c,b");
// TArray4s v_aa_vvov = v_ab_vvov("a,b,i,c") - v_ab_vvvo("a,b,c,i");
// TArray4s v_aa_vvvv = v_ab_vvvv("a,b,c,d") - v_ab_vvvv("a,b,d,c");
// // Just make references to the data since the input is closed shell.
// TArray4s& v_bb_oooo = v_aa_oooo;
// TArray4s& v_bb_ooov = v_aa_ooov;
// TArray4s& v_bb_vvoo = v_aa_vvoo;
// TArray4s& v_bb_vovo = v_aa_vovo;
// TArray4s& v_bb_oovv = v_aa_oovv;
// TArray4s& v_bb_voov = v_aa_voov;
// TArray4s& v_bb_vovv = v_aa_vovv;
// TArray4s& v_bb_vvvv = v_aa_vvvv;
//
// // Fence again to make sure data all the integral tensors have been initialized
// world.gop.fence();
//
// if(world.rank() == 0)
// std::cout << " done.\n";
//
//
// TArray2s t_a_vo(world, f_a_vo.trange(), f_a_vo.shape());
// t_a_vo.set_all_local(0.0);
//
// TArray2s& t_b_vo = t_a_vo;
//
// TArray4s t_aa_vvoo(world, v_aa_vvoo.trange(), v_aa_vvoo.shape());
// t_aa_vvoo.set_all_local(0.0);
//
// TArray4s t_ab_vvoo(world, v_ab_vvoo.trange(), v_ab_vvoo.shape());
// t_ab_vvoo.set_all_local(0.0);
//
// TArray4s t_bb_vvoo(world, v_bb_vvoo.trange(), v_bb_vvoo.shape());
// t_bb_vvoo.set_all_local(0.0);
//
//
// TArray2s D_vo(world, f_a_vo.trange(), f_a_vo.shape());
// for(TArray2s::range_type::const_iterator it = D_vo.range().begin(); it != D_vo.range().end(); ++it)
// if(D_vo.is_local(*it) && (! D_vo.is_zero(*it)))
// D_vo.set(*it, world.taskq.add(data, & InputData::make_D_vo_tile, D_vo.trange().make_tiles_range(*it)));
//
// TArray4s D_vvoo(world, v_ab_vvoo.trange(), v_ab_vvoo.shape());
// for(TArray4s::range_type::const_iterator it = D_vvoo.range().begin(); it != D_vvoo.range().end(); ++it)
// if(D_vvoo.is_local(*it) && (! D_vvoo.is_zero(*it)))
// D_vvoo.set(*it, world.taskq.add(data, & InputData::make_D_vvoo_tile, D_vvoo.trange().make_tiles_range(*it)));
world.gop.fence();
data.clear();
if(world.rank() == 0)
std::cout << "Calculating t amplitudes...\n";
double energy = 0.0;
for(unsigned int i = 0ul; i < 100; ++i) {
if(world.rank() == 0)
std::cout << "Iteration " << i << "\n";
// TArray2s r_a_vo = f_a_vo("p1a,h1a");
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// -0.5*(
// t_aa_vvoo("p1a,p2a,h2a,h5a")*v_aa_ooov("h2a,h5a,h1a,p2a")
// +t_aa_vvoo("p1a,p3a,h2a,h3a")*t_a_vo("p2a,h1a")*v_aa_oovv("h2a,h3a,p2a,p3a")
// +t_aa_vvoo("p2a,p3a,h1a,h3a")*t_a_vo("p1a,h2a")*v_aa_oovv("h2a,h3a,p2a,p3a")
// -t_aa_vvoo("p2a,p5a,h1a,h2a")*v_aa_vovv("p1a,h2a,p2a,p5a")
// );
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// -f_a_oo("h2a,h1a")*t_a_vo("p1a,h2a")
// -f_a_ov("h2a,p2a")*t_a_vo("p1a,h2a")*t_a_vo("p2a,h1a")
// -t_ab_vvoo("p1a,p4b,h2a,h4b")*t_a_vo("p2a,h1a")*v_ab_oovv("h2a,h4b,p2a,p4b")
// -t_ab_vvoo("p1a,p4b,h2a,h4b")*v_ab_ooov("h2a,h4b,h1a,p4b");
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// -t_ab_vvoo("p2a,p4b,h1a,h4b")*t_a_vo("p1a,h2a")*v_ab_oovv("h2a,h4b,p2a,p4b")
// -t_a_vo("p1a,h2a")*t_a_vo("p2a,h1a")*t_a_vo("p3a,h3a")*v_aa_oovv("h2a,h3a,p2a,p3a")
// -t_a_vo("p1a,h2a")*t_a_vo("p2a,h1a")*t_b_vo("p4b,h4b")*v_ab_oovv("h2a,h4b,p2a,p4b")
// -t_a_vo("p1a,h2a")*t_a_vo("p2a,h3a")*v_aa_ooov("h2a,h3a,h1a,p2a");
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// -t_a_vo("p1a,h2a")*t_b_vo("p4b,h4b")*v_ab_ooov("h2a,h4b,h1a,p4b")
// +f_a_ov("h2a,p2a")*t_aa_vvoo("p1a,p2a,h1a,h2a")
// +f_a_vv("p1a,p2a")*t_a_vo("p2a,h1a")
// +f_b_ov("h4b,p4b")*t_ab_vvoo("p1a,p4b,h1a,h4b");
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// +t_aa_vvoo("p1a,p2a,h1a,h2a")*t_a_vo("p3a,h3a")*v_aa_oovv("h2a,h3a,p2a,p3a")
// +t_aa_vvoo("p1a,p2a,h1a,h2a")*t_b_vo("p4b,h4b")*v_ab_oovv("h2a,h4b,p2a,p4b")
// +t_ab_vvoo("p1a,p4b,h1a,h4b")*t_a_vo("p2a,h2a")*v_ab_oovv("h2a,h4b,p2a,p4b")
// +t_ab_vvoo("p1a,p4b,h1a,h4b")*t_b_vo("p6b,h6b")*v_bb_oovv("h4b,h6b,p4b,p6b");
//
// world.gop.fence();
//
// r_a_vo("p1a,h1a") = r_a_vo("p1a,h1a")
// +t_ab_vvoo("p2a,p4b,h1a,h4b")*v_ab_vovv("p1a,h4b,p2a,p4b")
// +t_a_vo("p2a,h1a")*t_a_vo("p3a,h2a")*v_aa_vovv("p1a,h2a,p2a,p3a")
// +t_a_vo("p2a,h1a")*t_b_vo("p4b,h4b")*v_ab_vovv("p1a,h4b,p2a,p4b")
// +t_a_vo("p2a,h2a")*v_aa_voov("p1a,h2a,h1a,p2a")
// +t_b_vo("p4b,h4b")*v_ab_voov("p1a,h4b,h1a,p4b");
//
// TArray2s& r_b_vo = r_a_vo;
//
// world.gop.fence();
//
// TArray4s r_aa_vvoo = v_aa_vvoo("p7a,p8a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.25*t_aa_vvoo("p7a,p8a,h9a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a")*t_aa_vvoo("p9a,p10a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p7a,p10a,h9a,h10a")*t_aa_vvoo("p8a,p9a,h7a,h8a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_aa_vvoo("p7a,p8a,h7a,h9a")*t_aa_vvoo("p9a,p10a,h8a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p7a,p8a,h8a,h9a")*t_aa_vvoo("p9a,p10a,h7a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p7a,p8a,h9a,h10a")*t_a_vo("p10a,h8a")*t_a_vo("p9a,h7a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_aa_vvoo("p7a,p8a,h9a,h10a")*t_a_vo("p9a,h7a")*v_aa_ooov("h9a,h10a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p7a,p8a,h9a,h10a")*t_a_vo("p9a,h8a")*v_aa_ooov("h9a,h10a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p7a,p8a,h9a,h12a")*v_aa_oooo("h9a,h12a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_aa_vvoo("p7a,p9a,h7a,h8a")*t_aa_vvoo("p8a,p10a,h9a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p9a,p10a,h7a,h8a")*t_a_vo("p7a,h9a")*t_a_vo("p8a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p9a,p10a,h7a,h8a")*t_a_vo("p7a,h9a")*v_aa_vovv("p8a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_aa_vvoo("p9a,p10a,h7a,h8a")*t_a_vo("p8a,h9a")*v_aa_vovv("p7a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_aa_vvoo("p9a,p12a,h7a,h8a")*v_aa_vvvv("p7a,p8a,p9a,p12a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_a_vo("p10a,h7a")*t_a_vo("p9a,h8a")*v_aa_vvvv("p7a,p8a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_a_vo("p10a,h8a")*t_a_vo("p9a,h7a")*v_aa_vvvv("p7a,p8a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -0.5*t_a_vo("p7a,h10a")*t_a_vo("p8a,h9a")*v_aa_oooo("h9a,h10a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +0.5*t_a_vo("p7a,h9a")*t_a_vo("p8a,h10a")*v_aa_oooo("h9a,h10a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -f_a_oo("h9a,h8a")*t_aa_vvoo("p7a,p8a,h7a,h9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -f_a_ov("h9a,p9a")*t_aa_vvoo("p7a,p8a,h7a,h9a")*t_a_vo("p9a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -f_a_ov("h9a,p9a")*t_aa_vvoo("p7a,p9a,h7a,h8a")*t_a_vo("p8a,h9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -f_a_vv("p7a,p9a")*t_aa_vvoo("p8a,p9a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p8a,h7a,h9a")*t_ab_vvoo("p9a,p11b,h8a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p8a,h7a,h9a")*t_a_vo("p10a,h10a")*t_a_vo("p9a,h8a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p8a,h7a,h9a")*t_a_vo("p9a,h10a")*v_aa_ooov("h9a,h10a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p8a,h7a,h9a")*t_a_vo("p9a,h8a")*t_b_vo("p11b,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p8a,h7a,h9a")*t_b_vo("p11b,h11b")*v_ab_ooov("h9a,h11b,h8a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h7a,h8a")*t_ab_vvoo("p8a,p11b,h9a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h7a,h8a")*t_a_vo("p10a,h10a")*t_a_vo("p8a,h9a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h7a,h8a")*t_a_vo("p8a,h9a")*t_b_vo("p11b,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h7a,h9a")*t_a_vo("p10a,h8a")*t_a_vo("p8a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h7a,h9a")*t_a_vo("p10a,h8a")*v_aa_vovv("p8a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h8a,h9a")*t_aa_vvoo("p8a,p10a,h7a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h8a,h9a")*t_ab_vvoo("p8a,p11b,h7a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h8a,h9a")*t_a_vo("p8a,h10a")*v_aa_ooov("h9a,h10a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p7a,p9a,h8a,h9a")*v_aa_voov("p8a,h9a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h7a,h8a")*t_a_vo("p10a,h9a")*v_aa_vovv("p7a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h7a,h8a")*t_b_vo("p11b,h11b")*v_ab_vovv("p7a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h7a,h9a")*t_ab_vvoo("p7a,p11b,h8a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h7a,h9a")*t_a_vo("p7a,h10a")*v_aa_ooov("h9a,h10a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h7a,h9a")*v_aa_voov("p7a,h9a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h8a,h9a")*t_a_vo("p10a,h7a")*t_a_vo("p7a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_aa_vvoo("p8a,p9a,h8a,h9a")*t_a_vo("p10a,h7a")*v_aa_vovv("p7a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p7a,p11b,h7a,h11b")*t_a_vo("p8a,h9a")*t_a_vo("p9a,h8a")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p7a,p11b,h7a,h11b")*t_a_vo("p8a,h9a")*v_ab_ooov("h9a,h11b,h8a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p7a,p11b,h8a,h11b")*t_ab_vvoo("p8a,p14b,h7a,h14b")*v_bb_oovv("h11b,h14b,p11b,p14b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p7a,p11b,h8a,h11b")*t_a_vo("p9a,h7a")*v_ab_vovv("p8a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p7a,p13b,h8a,h13b")*v_ab_voov("p8a,h13b,h7a,p13b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p8a,p11b,h7a,h11b")*t_a_vo("p9a,h8a")*v_ab_vovv("p7a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p8a,p11b,h8a,h11b")*t_a_vo("p7a,h9a")*t_a_vo("p9a,h7a")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p8a,p11b,h8a,h11b")*t_a_vo("p7a,h9a")*v_ab_ooov("h9a,h11b,h7a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_ab_vvoo("p8a,p13b,h7a,h13b")*v_ab_voov("p7a,h13b,h8a,p13b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p10a,h8a")*t_a_vo("p8a,h9a")*t_a_vo("p9a,h7a")*v_aa_vovv("p7a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p7a,h9a")*t_a_vo("p8a,h10a")*t_a_vo("p9a,h7a")*v_aa_ooov("h9a,h10a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p7a,h9a")*t_a_vo("p9a,h7a")*v_aa_voov("p8a,h9a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p8a,h9a")*t_a_vo("p9a,h8a")*v_aa_voov("p7a,h9a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p8a,h9a")*v_aa_vooo("p7a,h9a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// -t_a_vo("p9a,h7a")*v_aa_vvov("p7a,p8a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +f_a_oo("h9a,h7a")*t_aa_vvoo("p7a,p8a,h8a,h9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +f_a_ov("h9a,p9a")*t_aa_vvoo("p7a,p8a,h8a,h9a")*t_a_vo("p9a,h7a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +f_a_ov("h9a,p9a")*t_aa_vvoo("p8a,p9a,h7a,h8a")*t_a_vo("p7a,h9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +f_a_vv("p8a,p9a")*t_aa_vvoo("p7a,p9a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p8a,h8a,h9a")*t_ab_vvoo("p9a,p11b,h7a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p8a,h8a,h9a")*t_a_vo("p10a,h10a")*t_a_vo("p9a,h7a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p8a,h8a,h9a")*t_a_vo("p9a,h10a")*v_aa_ooov("h9a,h10a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p8a,h8a,h9a")*t_a_vo("p9a,h7a")*t_b_vo("p11b,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p8a,h8a,h9a")*t_b_vo("p11b,h11b")*v_ab_ooov("h9a,h11b,h7a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h8a")*t_a_vo("p10a,h9a")*v_aa_vovv("p8a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h8a")*t_b_vo("p11b,h11b")*v_ab_vovv("p8a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h9a")*t_aa_vvoo("p8a,p10a,h8a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h9a")*t_ab_vvoo("p8a,p11b,h8a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h9a")*t_a_vo("p8a,h10a")*v_aa_ooov("h9a,h10a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h7a,h9a")*v_aa_voov("p8a,h9a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h8a,h9a")*t_a_vo("p10a,h7a")*t_a_vo("p8a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p7a,p9a,h8a,h9a")*t_a_vo("p10a,h7a")*v_aa_vovv("p8a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h7a,h8a")*t_ab_vvoo("p7a,p11b,h9a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h7a,h8a")*t_a_vo("p10a,h10a")*t_a_vo("p7a,h9a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h7a,h8a")*t_a_vo("p7a,h9a")*t_b_vo("p11b,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h7a,h9a")*t_a_vo("p10a,h8a")*t_a_vo("p7a,h10a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h7a,h9a")*t_a_vo("p10a,h8a")*v_aa_vovv("p7a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h8a,h9a")*t_ab_vvoo("p7a,p11b,h7a,h11b")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h8a,h9a")*t_a_vo("p7a,h10a")*v_aa_ooov("h9a,h10a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_aa_vvoo("p8a,p9a,h8a,h9a")*v_aa_voov("p7a,h9a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p7a,p11b,h7a,h11b")*t_ab_vvoo("p8a,p14b,h8a,h14b")*v_bb_oovv("h11b,h14b,p11b,p14b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p7a,p11b,h7a,h11b")*t_a_vo("p9a,h8a")*v_ab_vovv("p8a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p7a,p11b,h8a,h11b")*t_a_vo("p8a,h9a")*t_a_vo("p9a,h7a")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p7a,p11b,h8a,h11b")*t_a_vo("p8a,h9a")*v_ab_ooov("h9a,h11b,h7a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p7a,p13b,h7a,h13b")*v_ab_voov("p8a,h13b,h8a,p13b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p8a,p11b,h7a,h11b")*t_a_vo("p7a,h9a")*t_a_vo("p9a,h8a")*v_ab_oovv("h9a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p8a,p11b,h7a,h11b")*t_a_vo("p7a,h9a")*v_ab_ooov("h9a,h11b,h8a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p8a,p11b,h8a,h11b")*t_a_vo("p9a,h7a")*v_ab_vovv("p7a,h11b,p9a,p11b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_ab_vvoo("p8a,p13b,h8a,h13b")*v_ab_voov("p7a,h13b,h7a,p13b");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p10a,h8a")*t_a_vo("p7a,h9a")*t_a_vo("p8a,h10a")*t_a_vo("p9a,h7a")*v_aa_oovv("h9a,h10a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p10a,h8a")*t_a_vo("p7a,h9a")*t_a_vo("p9a,h7a")*v_aa_vovv("p8a,h9a,p9a,p10a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p7a,h9a")*t_a_vo("p8a,h10a")*t_a_vo("p9a,h8a")*v_aa_ooov("h9a,h10a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p7a,h9a")*t_a_vo("p9a,h8a")*v_aa_voov("p8a,h9a,h7a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p7a,h9a")*v_aa_vooo("p8a,h9a,h7a,h8a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p8a,h9a")*t_a_vo("p9a,h7a")*v_aa_voov("p7a,h9a,h8a,p9a");
//
// world.gop.fence();
//
// r_aa_vvoo("p7a,p8a,h7a,h8a") = r_aa_vvoo("p7a,p8a,h7a,h8a")
// +t_a_vo("p9a,h8a")*v_aa_vvov("p7a,p8a,h7a,p9a");
//
// TArray4s& r_bb_vvoo = r_aa_vvoo;
//
// TArray4s r_ab_vvoo = v_ab_vvoo("p17a,p16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -0.5*t_aa_vvoo("p17a,p20a,h18a,h20a")*t_ab_vvoo("p18a,p16b,h17a,h15b")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -0.5*t_aa_vvoo("p18a,p20a,h17a,h20a")*t_ab_vvoo("p17a,p16b,h18a,h15b")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -0.5*t_ab_vvoo("p17a,p15b,h17a,h15b")*t_bb_vvoo("p16b,p19b,h16b,h19b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -0.5*t_ab_vvoo("p17a,p16b,h17a,h16b")*t_bb_vvoo("p15b,p19b,h15b,h19b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_a_oo("h18a,h17a")*t_ab_vvoo("p17a,p16b,h18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_a_ov("h18a,p18a")*t_ab_vvoo("p17a,p16b,h18a,h15b")*t_a_vo("p18a,h17a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_a_ov("h18a,p18a")*t_ab_vvoo("p18a,p16b,h17a,h15b")*t_a_vo("p17a,h18a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_b_oo("h16b,h15b")*t_ab_vvoo("p17a,p16b,h17a,h16b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_b_ov("h16b,p15b")*t_ab_vvoo("p17a,p15b,h17a,h15b")*t_b_vo("p16b,h16b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -f_b_ov("h16b,p15b")*t_ab_vvoo("p17a,p16b,h17a,h16b")*t_b_vo("p15b,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_aa_vvoo("p17a,p18a,h17a,h18a")*t_b_vo("p15b,h15b")*t_b_vo("p16b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_aa_vvoo("p17a,p18a,h17a,h18a")*t_b_vo("p16b,h16b")*v_ab_oovo("h18a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h17a,h15b")*t_ab_vvoo("p18a,p16b,h18a,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h17a,h15b")*t_a_vo("p18a,h18a")*t_b_vo("p16b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h17a,h15b")*t_b_vo("p16b,h16b")*t_b_vo("p19b,h19b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h17a,h16b")*t_b_vo("p16b,h19b")*t_b_vo("p19b,h15b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h17a,h16b")*t_b_vo("p19b,h15b")*v_bb_vovv("p16b,h16b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h18a,h15b")*t_a_vo("p18a,h17a")*v_ab_ovvv("h18a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h18a,h15b")*v_ab_ovov("h18a,p16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p15b,h18a,h16b")*t_ab_vvoo("p18a,p16b,h17a,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h17a,h16b")*t_ab_vvoo("p18a,p15b,h18a,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h17a,h16b")*t_a_vo("p18a,h18a")*t_b_vo("p15b,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h17a,h16b")*t_a_vo("p18a,h18a")*v_ab_oovo("h18a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h17a,h16b")*t_b_vo("p15b,h15b")*t_b_vo("p19b,h19b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h17a,h16b")*t_b_vo("p15b,h19b")*v_bb_ooov("h16b,h19b,h15b,p15b")
// -t_ab_vvoo("p17a,p16b,h18a,h15b")*t_ab_vvoo("p18a,p15b,h17a,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h18a,h15b")*t_a_vo("p18a,h17a")*t_a_vo("p20a,h20a")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h18a,h15b")*t_a_vo("p18a,h17a")*t_b_vo("p15b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h18a,h15b")*t_a_vo("p18a,h20a")*v_aa_ooov("h18a,h20a,h17a,p18a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p17a,p16b,h18a,h15b")*t_b_vo("p15b,h16b")*v_ab_ooov("h18a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p15b,h17a,h15b")*t_a_vo("p17a,h18a")*v_ab_ovvv("h18a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p15b,h17a,h15b")*t_b_vo("p16b,h16b")*v_ab_vovv("p17a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h17a,h15b")*t_a_vo("p17a,h18a")*t_a_vo("p20a,h20a")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h17a,h15b")*t_a_vo("p17a,h18a")*t_b_vo("p15b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h17a,h16b")*t_b_vo("p15b,h15b")*v_ab_vovv("p17a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h17a,h16b")*v_ab_vovo("p17a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h18a,h15b")*t_a_vo("p17a,h20a")*t_a_vo("p20a,h17a")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_ab_vvoo("p18a,p16b,h18a,h15b")*t_a_vo("p20a,h17a")*v_aa_vovv("p17a,h18a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*t_a_vo("p18a,h17a")*t_bb_vvoo("p16b,p15b,h15b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*t_a_vo("p18a,h17a")*t_b_vo("p15b,h15b")*v_ab_ovvv("h18a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*t_a_vo("p18a,h17a")*v_ab_ovvo("h18a,p16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*t_bb_vvoo("p16b,p15b,h15b,h16b")*v_ab_ooov("h18a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*t_b_vo("p15b,h15b")*v_ab_ovov("h18a,p16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p17a,h18a")*v_ab_ovoo("h18a,p16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p18a,h17a")*t_b_vo("p15b,h15b")*t_b_vo("p16b,h16b")*v_ab_vovv("p17a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_a_vo("p18a,h17a")*t_b_vo("p16b,h16b")*v_ab_vovo("p17a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_b_vo("p15b,h15b")*t_b_vo("p16b,h16b")*v_ab_voov("p17a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// -t_b_vo("p16b,h16b")*v_ab_vooo("p17a,h16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +f_a_vv("p17a,p18a")*t_ab_vvoo("p18a,p16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +f_b_vv("p16b,p15b")*t_ab_vvoo("p17a,p15b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_aa_vvoo("p17a,p18a,h17a,h18a")*t_ab_vvoo("p20a,p16b,h20a,h15b")*v_aa_oovv("h18a,h20a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_aa_vvoo("p17a,p18a,h17a,h18a")*t_bb_vvoo("p16b,p15b,h15b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_aa_vvoo("p17a,p18a,h17a,h18a")*t_b_vo("p15b,h15b")*v_ab_ovvv("h18a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_aa_vvoo("p17a,p18a,h17a,h18a")*v_ab_ovvo("h18a,p16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h17a,h15b")*t_a_vo("p18a,h18a")*v_ab_ovvv("h18a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h17a,h15b")*t_b_vo("p19b,h16b")*v_bb_vovv("p16b,h16b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h17a,h16b")*t_ab_vvoo("p18a,p16b,h18a,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h17a,h16b")*t_b_vo("p16b,h19b")*v_bb_ooov("h16b,h19b,h15b,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h17a,h16b")*v_bb_voov("p16b,h16b,h15b,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h18a,h15b")*t_ab_vvoo("p18a,p16b,h17a,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h18a,h15b")*t_a_vo("p18a,h17a")*t_b_vo("p16b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p15b,h18a,h15b")*t_b_vo("p16b,h16b")*v_ab_ooov("h18a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p16b,h18a,h16b")*t_ab_vvoo("p18a,p15b,h17a,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p16b,h18a,h16b")*t_a_vo("p18a,h17a")*t_b_vo("p15b,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p16b,h18a,h16b")*t_a_vo("p18a,h17a")*v_ab_oovo("h18a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p16b,h18a,h16b")*t_b_vo("p15b,h15b")*v_ab_ooov("h18a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p16b,h18a,h16b")*v_ab_oooo("h18a,h16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p17a,p19b,h17a,h19b")*t_bb_vvoo("p16b,p15b,h15b,h16b")*v_bb_oovv("h16b,h19b,p15b,p19b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p15b,h17a,h15b")*t_a_vo("p17a,h18a")*t_b_vo("p16b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p15b,h17a,h15b")*v_ab_vvvv("p17a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h17a,h15b")*t_a_vo("p20a,h18a")*v_aa_vovv("p17a,h18a,p18a,p20a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h17a,h15b")*t_b_vo("p15b,h16b")*v_ab_vovv("p17a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h17a,h16b")*t_a_vo("p17a,h18a")*t_b_vo("p15b,h15b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h17a,h16b")*t_a_vo("p17a,h18a")*v_ab_oovo("h18a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h18a,h15b")*t_a_vo("p17a,h20a")*v_aa_ooov("h18a,h20a,h17a,p18a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_ab_vvoo("p18a,p16b,h18a,h15b")*v_aa_voov("p17a,h18a,h17a,p18a");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p17a,h18a")*t_a_vo("p18a,h17a")*t_b_vo("p15b,h15b")*t_b_vo("p16b,h16b")*v_ab_oovv("h18a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p17a,h18a")*t_a_vo("p18a,h17a")*t_b_vo("p16b,h16b")*v_ab_oovo("h18a,h16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p17a,h18a")*t_b_vo("p15b,h15b")*t_b_vo("p16b,h16b")*v_ab_ooov("h18a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p17a,h18a")*t_b_vo("p16b,h16b")*v_ab_oooo("h18a,h16b,h17a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p18a,h17a")*t_bb_vvoo("p16b,p15b,h15b,h16b")*v_ab_vovv("p17a,h16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p18a,h17a")*t_b_vo("p15b,h15b")*v_ab_vvvv("p17a,p16b,p18a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_a_vo("p18a,h17a")*v_ab_vvvo("p17a,p16b,p18a,h15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_bb_vvoo("p16b,p15b,h15b,h16b")*v_ab_voov("p17a,h16b,h17a,p15b");
//
// world.gop.fence();
//
// r_ab_vvoo = r_ab_vvoo("p17a,p16b,h17a,h15b")
// +t_b_vo("p15b,h15b")*v_ab_vvov("p17a,p16b,h17a,p15b");
//
//
// world.gop.fence();
//
// t_aa_vvoo("a,b,i,j") =
// make_binary_tiled_tensor(D_vvoo("a,b,i,j"),
// r_aa_vvoo("a,b,i,j"), std::multiplies())
// + t_aa_vvoo("a,b,i,j");
//
// t_ab_vvoo("a,b,i,j") =
// make_binary_tiled_tensor(D_vvoo("a,b,i,j"),
// r_ab_vvoo("a,b,i,j"), std::multiplies())
// + t_ab_vvoo("a,b,i,j");
//
// t_bb_vvoo("a,b,i,j") =
// make_binary_tiled_tensor(D_vvoo("a,b,i,j"),
// r_bb_vvoo("a,b,i,j"), std::multiplies())
// + t_bb_vvoo("a,b,i,j");
//
//
// world.gop.fence();
//
// TArray4s tau_aa_vvoo =
// t_aa_vvoo("a,b,i,j") + t_a_vo("a,i") * t_a_vo("b,j") - t_a_vo("b,i") * t_a_vo("a,j");
//
// TArray4s tau_bb_vvoo =
// t_bb_vvoo("a,b,i,j") + t_b_vo("a,i") * t_b_vo("b,j") - t_b_vo("b,i") * t_b_vo("a,j");
//
// TArray4s tau_ab_vvoo =
// t_ab_vvoo("a,b,i,j") + t_a_vo("a,i") * t_b_vo("b,j");
//
//
// world.gop.fence();
//
// const double error = TiledArray::expressions::norm2(r_aa_vvoo("a,b,i,j")
// + r_ab_vvoo("a,b,i,j") + r_bb_vvoo("a,b,i,j"));
//
// energy = 0.25 * (dot(tau_aa_vvoo("a,b,i,j"), v_aa_vvoo("a,b,i,j"))
// +dot(tau_bb_vvoo("a,b,i,j"), v_bb_vvoo("a,b,i,j")) )
// +dot(tau_ab_vvoo("a,b,i,j"), v_ab_vvoo("a,b,i,j"))
// +dot(t_a_vo("a,i"), f_a_vo("a,i"))
// +dot(t_b_vo("a,i"), f_b_vo("a,i"));
//
// world.gop.fence();
//
// if(world.rank() == 0)
// std::cout << " error = " << std::setprecision(12) << error << "\n"
// << " energy = " << std::setprecision(12) << energy << "\n";
//
// if(error < 1.0e-10)
// break;
}
if(world.rank() == 0) {
std::cout << "CCSD energy = " << std::setprecision(12) << energy << "\n";
std::cout << "Done!\n";
}
} else {
TiledArray::finalize();
std::cout << "Unable to open file: " << file_name << "\n";
return 1;
}
TiledArray::finalize();
return 0;
}
tiledarray-0.6.0/examples/cc/input 0000664 0000000 0000000 00012434165 13016354706 0017167 0 ustar 00root root 0000000 0000000 name: H2O
nirreps: 4
nmo: 24
nocc_act_alpha: 5
nocc_act_beta: 5
nvir_act_alpha: 19
nvir_act_beta: 19
obs_mosym_alpha:
0
0
3
0
2
0
3
3
0
0
2
3
0
1
2
0
3
3
0
2
1
0
0
3
obs_mosym_beta:
0
0
3
0
2
0
3
3
0
0
2
3
0
1
2
0
3
3
0
2
1
0
0
3
0 0 -20.550379060455452
1 1 -1.336810237374828
2 2 -0.699443702782059
3 3 -0.566604780691869
4 4 -0.493161915353721
5 5 0.185612824696102
6 6 0.256288190201938
7 7 0.789520678424813
8 8 0.854536042555141
9 9 1.163484689118247
10 10 1.200389252349985
11 11 1.253279750579828
12 12 1.444621312917191
13 13 1.476304035546233
14 14 1.674767836944846
15 15 1.867263371600128
16 16 1.935150672981011
17 17 2.453526133766160
18 18 2.491023185631775
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23 5 22 11 0.008038066878344
23 5 22 16 -0.000076485877196
23 5 22 17 -0.003435733586973
23 5 22 23 0.008890382829215
23 6 22 0 0.003655086954543
23 6 22 1 -0.000777514329585
23 6 22 3 -0.009164708448746
23 6 22 5 0.004263761346702
23 6 22 8 0.009594976886289
23 6 22 9 -0.004598758516067
23 6 22 12 -0.002946609341953
23 6 22 15 0.004970582508007
23 6 22 18 -0.005748399551119
23 6 22 21 -0.003617065862909
23 6 22 22 0.000464119398262
23 7 22 0 -0.003260387244694
23 7 22 1 0.013853540739381
23 7 22 3 0.002800001658508
23 7 22 5 -0.002683189584576
23 7 22 8 -0.022399689369367
23 7 22 9 -0.008207181348810
23 7 22 12 0.004554320341657
23 7 22 15 0.006778928091798
23 7 22 18 0.020675368533528
23 7 22 21 0.006553124161640
23 7 22 22 0.013996836165076
23 8 22 2 -0.007355332720475
23 8 22 6 0.013737328564170
23 8 22 7 -0.033645059753162
23 8 22 11 0.009693719721720
23 8 22 16 0.005893170293655
23 8 22 17 -0.017350306756560
23 8 22 23 0.011899758204074
23 9 22 2 0.018699454467884
23 9 22 6 -0.010333416132307
23 9 22 7 0.009957837282628
23 9 22 11 -0.009474483918642
23 9 22 16 0.000441839103742
23 9 22 17 0.008180098225932
23 9 22 23 0.002440048949662
23 10 22 13 -0.001010831608143
23 10 22 20 0.000006309963682
23 11 22 0 0.005895814102045
23 11 22 1 0.012597189642497
23 11 22 3 -0.010230959097682
23 11 22 5 0.008328140258492
23 11 22 8 0.012794670970782
23 11 22 9 -0.022679410886879
23 11 22 12 -0.007923723750500
23 11 22 15 0.020033413430904
23 11 22 18 0.006480911616244
23 11 22 21 0.001944722348136
23 11 22 22 0.090384606361038
23 12 22 2 -0.000730830098707
23 12 22 6 -0.001278111736775
23 12 22 7 0.006147562466998
23 12 22 11 -0.002006648897248
23 12 22 16 0.000975034958246
23 12 22 17 0.004288245623303
23 12 22 23 -0.007594548780277
23 13 22 4 -0.002227156489735
23 13 22 10 -0.000906322407209
23 13 22 14 0.002499973869740
23 13 22 19 -0.003068936777408
23 14 22 13 0.002697720356534
23 14 22 20 0.000833557270144
23 15 22 2 -0.008064996203177
23 15 22 6 0.002349789049159
23 15 22 7 0.003012374234277
23 15 22 11 0.007458732039479
23 15 22 16 -0.002045908748979
23 15 22 17 0.003597679574436
23 15 22 23 0.012181991170226
23 16 22 0 0.000751299722834
23 16 22 1 -0.002371207448499
23 16 22 3 -0.000467665550136
23 16 22 5 0.001771137670629
23 16 22 8 0.004569493316202
23 16 22 9 0.002314350704564
23 16 22 12 0.000807576288068
23 16 22 15 -0.000981193475376
23 16 22 18 -0.003010934083840
23 16 22 21 0.000785458879138
23 16 22 22 -0.009503403270526
23 17 22 0 -0.003052818742332
23 17 22 1 0.009571768784619
23 17 22 3 0.005351068923104
23 17 22 5 0.002936981280171
23 17 22 8 -0.007049996073259
23 17 22 9 -0.014809253857414
23 17 22 12 -0.001765997383423
23 17 22 15 0.010810724617527
23 17 22 18 0.032051644092578
23 17 22 21 0.002524388807765
23 17 22 22 0.052584592590886
23 18 22 2 0.010546510393714
23 18 22 6 -0.007743945379755
23 18 22 7 0.021441990577148
23 18 22 11 -0.002658567467174
23 18 22 16 -0.007339267747320
23 18 22 17 0.029091232894499
23 18 22 23 -0.011327357684790
23 19 22 13 -0.002711316447246
23 19 22 20 -0.000536979507238
23 20 22 4 0.003297468818841
23 20 22 10 -0.000201290291818
23 20 22 14 0.004434421829447
23 20 22 19 0.007820765038072
23 21 22 2 -0.003820732397843
23 21 22 6 0.000952048503207
23 21 22 7 0.002582609405571
23 21 22 11 0.001222966655552
23 21 22 16 0.000876688505943
23 21 22 17 0.001698313149107
23 21 22 23 -0.007717867579669
23 22 22 2 0.015207446960499
23 22 22 6 -0.005261452952642
23 22 22 7 -0.001840317390082
23 22 22 11 0.006107572185369
23 22 22 16 0.001411162572382
23 22 22 17 -0.007223674147893
23 22 22 23 0.047921025615942
23 23 22 0 0.005015432628431
23 23 22 1 0.036394067675589
23 23 22 3 0.003632564809308
23 23 22 5 0.011590626705659
23 23 22 8 0.027965839326907
23 23 22 9 -0.065954362008859
23 23 22 12 -0.023904903298660
23 23 22 15 0.056893309611194
23 23 22 18 0.043139933823271
23 23 22 21 0.015041890575316
23 23 22 22 0.661221778842996
23 0 23 0 0.010171798478911
23 0 23 1 0.008382864324652
23 0 23 3 -0.006226758303388
23 0 23 5 0.005032392678588
23 0 23 8 0.006712924035631
23 0 23 9 -0.005809691611536
23 0 23 12 -0.002205473233388
23 0 23 15 0.004975412978374
23 0 23 18 -0.006183719913731
23 0 23 21 0.000066212581481
23 0 23 22 0.005948501372687
23 1 23 0 0.008382864324652
23 1 23 1 0.049571155142126
23 1 23 3 0.006128590520541
23 1 23 5 0.014446648597657
23 1 23 8 0.006796059571554
23 1 23 9 -0.006424249066793
23 1 23 12 -0.004582097309098
23 1 23 15 0.024333747085898
23 1 23 18 -0.000845825040288
23 1 23 21 -0.008202581294284
23 1 23 22 0.028608836863156
23 2 23 2 0.058717791943880
23 2 23 6 -0.026746258441635
23 2 23 7 0.016793606556140
23 2 23 11 -0.036034224889022
23 2 23 16 -0.004573673130153
23 2 23 17 0.012670430002322
23 2 23 23 -0.019867074962074
23 3 23 0 -0.006226758303388
23 3 23 1 0.006128590520541
23 3 23 3 0.061271353217729
23 3 23 5 -0.010979654818723
23 3 23 8 -0.020943032984765
23 3 23 9 0.028636427729689
23 3 23 12 0.002775841885231
23 3 23 15 0.000921690605564
23 3 23 18 0.017752783414929
23 3 23 21 -0.009751617746835
23 3 23 22 0.019101187872774
23 4 23 4 0.012907144657401
23 4 23 10 0.007058891041854
23 4 23 14 0.000849092264361
23 4 23 19 0.001261684137044
23 5 23 0 0.005032392678588
23 5 23 1 0.014446648597657
23 5 23 3 -0.010979654818723
23 5 23 5 0.011826024167358
23 5 23 8 0.014547482454727
23 5 23 9 -0.008011460106894
23 5 23 12 -0.004918791338604
23 5 23 15 0.008091473254770
23 5 23 18 -0.005625966986660
23 5 23 21 -0.001973440692611
23 5 23 22 0.008890382829216
23 6 23 2 -0.026746258441635
23 6 23 6 0.017955732655853
23 6 23 7 -0.017555234022419
23 6 23 11 0.019700457904560
23 6 23 16 0.003400138026831
23 6 23 17 -0.009535803822191
23 6 23 23 0.000146266532648
23 7 23 2 0.016793606556140
23 7 23 6 -0.017555234022419
23 7 23 7 0.039035340911502
23 7 23 11 -0.007556522012007
23 7 23 16 -0.008019394534540
23 7 23 17 0.026575223504198
23 7 23 23 0.025672465678690
23 8 23 0 0.006712924035631
23 8 23 1 0.006796059571555
23 8 23 3 -0.020943032984765
23 8 23 5 0.014547482454727
23 8 23 8 0.035542959164303
23 8 23 9 -0.013538321349976
23 8 23 12 -0.006717671210171
23 8 23 15 0.003786694760275
23 8 23 18 -0.019108394453428
23 8 23 21 -0.003127239898855
23 8 23 22 0.011899758204075
23 9 23 0 -0.005809691611536
23 9 23 1 -0.006424249066792
23 9 23 3 0.028636427729689
23 9 23 5 -0.008011460106893
23 9 23 8 -0.013538321349976
23 9 23 9 0.021616389050906
23 9 23 12 0.002597709190830
23 9 23 15 -0.002732983630239
23 9 23 18 0.008894919748955
23 9 23 21 -0.003840449276183
23 9 23 22 0.002440048949663
23 10 23 4 0.007058891041854
23 10 23 10 0.007192479869270
23 10 23 14 0.000559331328796
23 10 23 19 0.002966469104244
23 11 23 2 -0.036034224889022
23 11 23 6 0.019700457904560
23 11 23 7 -0.007556522012008
23 11 23 11 0.049474958005988
23 11 23 16 -0.000040202365243
23 11 23 17 0.005604992617882
23 11 23 23 0.102702524800386
23 12 23 0 -0.002205473233388
23 12 23 1 -0.004582097309098
23 12 23 3 0.002775841885231
23 12 23 5 -0.004918791338604
23 12 23 8 -0.006717671210171
23 12 23 9 0.002597709190829
23 12 23 12 0.008863778814893
23 12 23 15 -0.001955453623386
23 12 23 18 0.004579843354594
23 12 23 21 -0.002320641934748
23 12 23 22 -0.007594548780276
23 13 23 13 0.006846921427263
23 13 23 20 -0.006851549218812
23 14 23 4 0.000849092264361
23 14 23 10 0.000559331328796
23 14 23 14 0.006722042036000
23 14 23 19 0.006856547371120
23 15 23 0 0.004975412978374
23 15 23 1 0.024333747085898
23 15 23 3 0.000921690605563
23 15 23 5 0.008091473254769
23 15 23 8 0.003786694760276
23 15 23 9 -0.002732983630239
23 15 23 12 -0.001955453623386
23 15 23 15 0.017106968697089
23 15 23 18 -0.000537387641263
23 15 23 21 -0.005278906908532
23 15 23 22 0.012181991170222
23 16 23 2 -0.004573673130153
23 16 23 6 0.003400138026830
23 16 23 7 -0.008019394534540
23 16 23 11 -0.000040202365242
23 16 23 16 0.009510991674167
23 16 23 17 -0.005765099698777
23 16 23 23 -0.014569354145058
23 17 23 2 0.012670430002322
23 17 23 6 -0.009535803822192
23 17 23 7 0.026575223504198
23 17 23 11 0.005604992617884
23 17 23 16 -0.005765099698778
23 17 23 17 0.046771252510813
23 17 23 23 0.072399030248578
23 18 23 0 -0.006183719913731
23 18 23 1 -0.000845825040288
23 18 23 3 0.017752783414928
23 18 23 5 -0.005625966986661
23 18 23 8 -0.019108394453427
23 18 23 9 0.008894919748954
23 18 23 12 0.004579843354593
23 18 23 15 -0.000537387641262
23 18 23 18 0.032218443523962
23 18 23 21 0.003190861498748
23 18 23 22 -0.011327357684791
23 19 23 4 0.001261684137044
23 19 23 10 0.002966469104244
23 19 23 14 0.006856547371120
23 19 23 19 0.028250826836894
23 20 23 13 -0.006851549218812
23 20 23 20 0.029574110692784
23 21 23 0 0.000066212581481
23 21 23 1 -0.008202581294284
23 21 23 3 -0.009751617746835
23 21 23 5 -0.001973440692611
23 21 23 8 -0.003127239898854
23 21 23 9 -0.003840449276184
23 21 23 12 -0.002320641934749
23 21 23 15 -0.005278906908531
23 21 23 18 0.003190861498748
23 21 23 21 0.020401558994321
23 21 23 22 -0.007717867579670
23 22 23 0 0.005948501372687
23 22 23 1 0.028608836863157
23 22 23 3 0.019101187872774
23 22 23 5 0.008890382829217
23 22 23 8 0.011899758204074
23 22 23 9 0.002440048949664
23 22 23 12 -0.007594548780275
23 22 23 15 0.012181991170222
23 22 23 18 -0.011327357684791
23 22 23 21 -0.007717867579668
23 22 23 22 0.047921025615946
23 23 23 2 -0.019867074962075
23 23 23 6 0.000146266532648
23 23 23 7 0.025672465678690
23 23 23 11 0.102702524800385
23 23 23 16 -0.014569354145057
23 23 23 17 0.072399030248579
23 23 23 23 0.719763979966206
tiledarray-0.6.0/examples/cc/input.meta 0000664 0000000 0000000 00000011030 13016354706 0020067 0 ustar 00root root 0000000 0000000 Pai-Wei,
attached is a file with the input tensors you need + all the metadata. This is for water molecule with cc-pVDZ basis.
Here's a short primer:
nirreps: number of symmetry blocks (of occupied and virtual indices)
nmo: total number of indices = O + V
nocc_act_alpha: O for alpha spin
nocc_act_beta: O for beta spin
nvir_act_alpha: V for alpha spin
nvir_act_beta: V for beta spin
obs_mosym_alpha: symmetry block of each alpha spin index; these values can be [0,nirreps-1];
occupied come first (e,g, the occupied orbitals have symmetries 0, 0, 3, 0, 2)
obs_mosym_beta: symmetry block of each beta spin index
next come nonzero elements of f tensor. In this case it is diagonal, but you cannot assume that it is
in general CC method. I did not split it up into blocks (oo, ov, vv, etc.), but that's straightforward: indices
of the given tensor are combined o+v indices, i.e. 0 is the first O index, 1 is the second O index, … 4 is the 5th
O index, 5 is the first V index, etc. These indices were described by obs_mosym_alpha and obs_mosym_beta.
Also, in this case f tensor is the same for alpha and beta spin, but you cannot use this fact and should treat them
separately (if you consider a different molecule alpha and beta spins will no longer be equivalent).
next are nonzero elements of v tensor. Again, it's given in combined o+v form.
**WARNING: v tensor is given in so-called chemists notation, whereas all equations you have use v tensor in physicist's notation. When you read v tensor just
swap second and third indices, that will convert to physicists notation. Henceforth in this document I use physicists notation.**
There is an additional complication regarding spin.
What is given is alpha-beta v tensor (v_ab), but you can compute v_aa from it (in this case v_aa and v_bb are the same, but you cannot
use this fact -- you must treat them separately):
v_aa [p1][p2][p3][p4] = v_ab[p1][p2][p3][p4] - v_ab[p1][p2][p4][p3]
Note that v_aa is therefore antisymmetric with respect to permutation of indices p3 and p4. It is also antisymmetric with
respect to permutation of indices p1 and p2 because v_ab has what you guys called "vertex" symmetry:
v_ab[p1][p2][p3][p4] = v_ab[p2][p1][p4][p3]
------------------
Lastly, about how to do CC iterations. It's very simple. Set initial t amplitudes to zero. Changes in t1 and t2 amplitudes are obtained
by scaling the residuals of the CC amplitude equations as follows:
delta_t1_a[o1][v1] = r1_a[o1][v1] / ( f_a_o[o1][o1] - f_a_v[v1][v1] )
t1_a += delta_t1_a;
same for beta spin
delta_t2_ab[o1][o2][v1][v2] = r2_ab[o1][o2][v1][v2] / ( f_a_o[o1][o1] + f_b_o[o2][o2] - f_a_v[v1][v1] - f_b_v[v2][v2] )
t2_ab += delta_t2_ab;
same for aa and ab
The interpretation is that residuals are like gradients of t amplitudes and the differences of diagonal f tensor elements are
like approximate hessian for t amplitudes. So this is an inexact Newton update.
Do this until norms of the residuals fall below a certain small threshold, like 10^-10. You should also compute the CC energy
after each iteration to monitor progress.
To help troubleshooting: the first iteration residual r1 should be zero and r2 should equal corresponding v tensor.
Hence after the first iteration t1 will still be zero but t2 will not be.
Good luck!
Ed.
P.S. Molecular geometry:
unit = bohr
H [ 0.000000000 -1.430129828 0.983062487 ]
H [ 0.000000000 1.430129828 0.983062487 ]
O [ 0.000000000 0.000000000 -0.123863145 ]
P.P.S. Reference energies:
E(nucl rep) = 9.1968871381
E(HF) = -76.0268078691
iter CCSD energy residual RMS Wall
======================================================
0 -0.2089129826632 0.0003843661760 0.23
1 -0.2128381951574 0.0000692168122 0.21
2 -0.2132011089634 0.0000414116502 0.19
3 -0.2132690605106 0.0000063919035 0.18
4 -0.2132691174800 0.0000053098418 0.18
5 -0.2132697629510 0.0000024172773 0.23
6 -0.2132698525217 0.0000009594535 0.18
7 -0.2132699188466 0.0000004035898 0.17
8 -0.2132699194842 0.0000002637598 0.20
9 -0.2132699498062 0.0000000828022 0.18
10 -0.2132699333151 0.0000000213339 0.84
11 -0.2132699352275 0.0000000022403 0.19
12 -0.2132699349395 0.0000000025833 0.31
13 -0.2132699349021 0.0000000017643 0.19
14 -0.2132699349371 0.0000000010290 0.16
15 -0.2132699349939 0.0000000000330 0.16
======================================================
tiledarray-0.6.0/examples/cc/input_data.cpp 0000664 0000000 0000000 00000015731 13016354706 0020730 0 ustar 00root root 0000000 0000000 /*
* This file is a part of TiledArray.
* Copyright (C) 2013 Virginia Tech
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see
#include
TiledArray::TiledRange1
InputData::make_trange1(const obs_mosym::const_iterator& begin, obs_mosym::const_iterator first, obs_mosym::const_iterator last) {
std::vector tiles;
obs_mosym::value_type current = *first;
tiles.push_back(std::distance(begin, first));
for(; first != last; ++first) {
if(*first != current) {
tiles.push_back(std::distance(begin, first));
current = *first;
}
}
tiles.push_back(std::distance(begin, first));
return TiledArray::TiledRange1(tiles.begin(), tiles.end());
}
TiledArray::TSpArrayD::trange_type
InputData::trange(const Spin s, const RangeOV ov1, const RangeOV ov2) const {
const obs_mosym& spin = (s == alpha ? obs_mosym_alpha_ : obs_mosym_beta_);
const std::size_t nocc = (s == alpha ? nocc_act_alpha_ : nocc_act_beta_);
const std::size_t first1 = (ov1 == occ ? 0 : nocc);
const std::size_t last1 = (ov1 == occ ? nocc : nmo_);
const std::size_t first2 = (ov2 == occ ? 0 : nocc);
const std::size_t last2 = (ov2 == occ ? nocc : nmo_);
const std::array tr_list = {{
make_trange1(spin.begin(), spin.begin() + first1, spin.begin() + last1),
make_trange1(spin.begin(), spin.begin() + first2, spin.begin() + last2) }};
return TiledArray::TiledRange(tr_list.begin(), tr_list.end());
}
TiledArray::TSpArrayD::trange_type
InputData::trange(const Spin s1, const Spin s2, const RangeOV ov1, const RangeOV ov2, const RangeOV ov3, const RangeOV ov4) const {
const obs_mosym& spin1 = (s1 == alpha ? obs_mosym_alpha_ : obs_mosym_beta_);
const std::size_t& nocc1 = (s1 == alpha ? nocc_act_alpha_ : nocc_act_beta_);
const obs_mosym& spin2 = (s2 == alpha ? obs_mosym_alpha_ : obs_mosym_beta_);
const std::size_t& nocc2 = (s2 == alpha ? nocc_act_alpha_ : nocc_act_beta_);
const std::size_t first1 = (ov1 == occ ? 0 : nocc1);
const std::size_t last1 = (ov1 == occ ? nocc1 : nmo_);
const std::size_t first2 = (ov2 == occ ? 0 : nocc2);
const std::size_t last2 = (ov2 == occ ? nocc2 : nmo_);
const std::size_t first3 = (ov3 == occ ? 0 : nocc1);
const std::size_t last3 = (ov3 == occ ? nocc1 : nmo_);
const std::size_t first4 = (ov4 == occ ? 0 : nocc2);
const std::size_t last4 = (ov4 == occ ? nocc2 : nmo_);
const std::array tr_list = {{
make_trange1(spin1.begin(), spin1.begin() + first1, spin1.begin() + last1),
make_trange1(spin2.begin(), spin2.begin() + first2, spin2.begin() + last2),
make_trange1(spin1.begin(), spin1.begin() + first3, spin1.begin() + last3),
make_trange1(spin2.begin(), spin2.begin() + first4, spin2.begin() + last4) }};
return TiledArray::TiledRange(tr_list.begin(), tr_list.end());
}
InputData::InputData(std::ifstream& input) {
std::string label;
input >> label >> name_;
// std::cout << label << name_ << "\n";
input >> label >> nirreps_;
// std::cout << label << " " << nirreps_ << "\n";
input >> label >> nmo_;
// std::cout << label << " " << nmo_ << "\n";
input >> label >> nocc_act_alpha_;
// std::cout << label << " " << nocc_act_alpha_ << "\n";
input >> label >> nocc_act_beta_;
// std::cout << label << " " << nocc_act_beta_ << "\n";
input >> label >> nvir_act_alpha_;
// std::cout << label << " " << nvir_act_alpha_ << "\n";
input >> label >> nvir_act_beta_;
// std::cout << label << " " << nvir_act_beta_ << "\n";
input >> label;
// std::cout << label << "\n";
obs_mosym_alpha_.resize(nmo_, 0);
for(obs_mosym::iterator it = obs_mosym_alpha_.begin(); it != obs_mosym_alpha_.end(); ++it) {
input >> *it;
// std::cout << *it << "\n";
}
input >> label;
// std::cout << label << "\n";
obs_mosym_beta_.resize(nmo_, 0);
for(obs_mosym::iterator it = obs_mosym_beta_.begin(); it != obs_mosym_beta_.end(); ++it) {
input >> *it;
// std::cout << *it << "\n";
}
std::string line;
std::getline(input, line);
std::getline(input, line);
do {
line.clear();
std::getline(input, line);
if(line.size() == 0ul)
break;
std::istringstream iss(line);
array2d::value_type data;
iss >> data.first[0] >> data.first[1] >> data.second;
f_.push_back(data);
// std::cout << "(" << data.first[0] << ", " << data.first[1] << ") " << data.second << "\n";
} while(! input.eof());
do {
line.clear();
std::getline(input, line);
if(line.size() == 0ul)
break;
std::istringstream iss(line);
array4d::value_type data;
// Note: Input data is in chemist notation order, but we want physicist notation.
// So we swap index 1 and 2
iss >> data.first[0] >> data.first[2] >> data.first[1] >> data.first[3] >> data.second;
v_ab_.push_back(data);
// std::cout << "(" << data.first[0] << ", " << data.first[1] << ", " << data.first[2]
// << ", " << data.first[3] << ") " << data.second << "\n";
} while(! input.eof());
}
TiledArray::TSpArrayD
InputData::make_f(TiledArray::World& w, const Spin s, const RangeOV ov1, const RangeOV ov2) {
// Construct the array
TiledArray::TiledRange tr = trange(s, ov1, ov2);
// std::cout << tr << "\n";
TiledArray::TSpArrayD f(w, tr, make_sparse_shape(tr, f_));
// Initialize tiles
f.fill(0.0);
// Set the tile data
TiledArray::TSpArrayD::range_type::index index;
for(array2d::const_iterator it = f_.begin(); it != f_.end(); ++it) {
if(f.trange().elements_range().includes(it->first)) {
index = f.trange().element_to_tile(it->first);
if(f.is_local(index))
f.find(index).get()[it->first] = it->second;
}
}
return f;
}
TiledArray::TSpArrayD
InputData::make_v_ab(TiledArray::World& w, const RangeOV ov1, const RangeOV ov2, const RangeOV ov3, const RangeOV ov4) {
// Construct the array
TiledArray::TiledRange tr = trange(alpha, beta, ov1, ov2, ov3, ov4);
// std::cout << tr << "\n";
TiledArray::TSpArrayD v_ab(w, tr,make_sparse_shape(tr, v_ab_));
// Initialize tiles
v_ab.fill(0.0);
// Set the tile data
TiledArray::TSpArrayD::range_type::index index;
for(array4d::const_iterator it = v_ab_.begin(); it != v_ab_.end(); ++it) {
if(v_ab.trange().elements_range().includes(it->first)) {
index = v_ab.trange().element_to_tile(it->first);
if(v_ab.is_local(index))
v_ab.find(index).get()[it->first] = it->second;
}
}
return v_ab;
}
tiledarray-0.6.0/examples/cc/input_data.h 0000664 0000000 0000000 00000010473 13016354706 0020373 0 ustar 00root root 0000000 0000000 /*
* This file is a part of TiledArray.
* Copyright (C) 2013 Virginia Tech
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied war ranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see
#include
#include
#include
/// Spin enum type
typedef enum {
alpha = 0,
beta = 1
} Spin;
/// Occupied or virtual range type
typedef enum {
occ = 0,
vir = 1
} RangeOV;
/// Read input file and generate tensors for the algorithm
class InputData {
public:
typedef std::vector obs_mosym;
typedef std::vector, double> > array2d;
typedef std::vector, double> > array4d;
private:
std::string name_;
unsigned long nirreps_;
unsigned long nmo_;
unsigned long nocc_act_alpha_;
unsigned long nocc_act_beta_;
unsigned long nvir_act_alpha_;
unsigned long nvir_act_beta_;
obs_mosym obs_mosym_alpha_;
obs_mosym obs_mosym_beta_;
array2d f_;
array4d v_ab_;
template
struct predicate {
typedef bool result_type;
predicate(const I& i) : index_(i) { }
template
result_type operator()(const std::pair& data) const { return data.first == index_; }
private:
I index_;
};
static TiledArray::TiledRange1 make_trange1(const obs_mosym::const_iterator& begin,
obs_mosym::const_iterator first, obs_mosym::const_iterator last);
TiledArray::TiledRange trange(const Spin s, const RangeOV ov1, const RangeOV ov2) const;
TiledArray::TiledRange trange(const Spin s1, const Spin s2, const RangeOV ov1, const RangeOV ov2,
const RangeOV ov3, const RangeOV ov4) const;
template
TiledArray::SparseShape make_sparse_shape(const R& r, const T& t) const {
TiledArray::Tensor tile_norms(r.tiles_range(), 0.0f);
// Find and store the tile for each element in the tensor.
for(typename T::const_iterator it = t.begin(); it != t.end(); ++it) {
if (r.elements_range().includes(it->first)) {
tile_norms[r.element_to_tile(it->first)] += it->second * it->second;
}
}
tile_norms.inplace_unary([](float& x) { x = std::sqrt(x); });
return TiledArray::SparseShape(tile_norms, r);
}
public:
InputData(std::ifstream& input);
std::string name() const { return name_; }
TiledArray::TSpArrayD
make_f(TiledArray::World& w, const Spin s, const RangeOV ov1, const RangeOV ov2);
TiledArray::TSpArrayD
make_v_ab(TiledArray::World& w, const RangeOV ov1, const RangeOV ov2, const RangeOV ov3, const RangeOV ov4);
TiledArray::TSpArrayD::value_type
make_D_vo_tile(const TiledArray::Range& range) const {
typedef TiledArray::TSpArrayD::value_type tile_type;
typedef tile_type::range_type range_type;
// computes tiles of D(v,v,o,o)
tile_type tile(range, 0.0);
for(range_type::const_iterator it = tile.range().begin(); it != tile.range().end(); ++it)
tile[*it] = 1.0 / (- f_[(*it)[0]].second + f_[(*it)[1]].second);
return tile;
}
TiledArray::TSpArrayD::value_type
make_D_vvoo_tile(const TiledArray::Range& range) const {
typedef TiledArray::TSpArrayD::value_type tile_type;
typedef tile_type::range_type range_type;
// computes tiles of D(v,v,o,o)
tile_type tile(range, 0.0);
for(range_type::const_iterator it = tile.range().begin(); it != tile.range().end(); ++it)
tile[*it] = 1.0 / (- f_[(*it)[0]].second - f_[(*it)[1]].second
+ f_[(*it)[2]].second + f_[(*it)[3]].second);
return tile;
}
/// Release allocated data
void clear() {
f_.clear();
array2d().swap(f_);
v_ab_.clear();
array4d().swap(v_ab_);
}
};
#endif // EXAMPLES_CCD_INPUT_DATA_H__INCLUDED
tiledarray-0.6.0/examples/cc/t1.txt 0000664 0000000 0000000 00000027414 13016354706 0017162 0 ustar 00root root 0000000 0000000
TiledArray::Array > a587(world, TiledArray::TiledRange());
a587("h2a,h1b,p1b,h1a") = (vab_oovv[h2a,h1b,p2a,p1b] * ta_vo[p2a,h1a]);
TiledArray::Array > a3988(world, TiledArray::TiledRange());
a3988("p1a,p2a") = (vaa_vovv[p1a,h2a,p2a,p3a] * ta_vo[p3a,h2a]);
TiledArray::Array > a3989(world, TiledArray::TiledRange());
a3989("p1a,p2a") = (_a3988[p1a,p2a] + fa_vv[p1a,p2a]);
TiledArray::Array > a3990(world, TiledArray::TiledRange());
a3990("p1a,h1a") = (ta_vo[p2a,h1a] * _a3989[p1a,p2a]);
TiledArray::Array > a287(world, TiledArray::TiledRange());
a287("p1a,h1a") = (vaa_vovv[p1a,h2a,p2a,p3a] * taa_vvoo[p2a,p3a,h1a,h2a]);
TiledArray::Array > a371(world, TiledArray::TiledRange());
a371("h2a,p2a") = (vab_oovv[h2a,h1b,p2a,p1b] * tb_vo[p1b,h1b]);
TiledArray::Array > a377(world, TiledArray::TiledRange());
a377("h1b,p1b") = (vab_oovv[h2a,h1b,p2a,p1b] * ta_vo[p2a,h2a]);
TiledArray::Array > a708(world, TiledArray::TiledRange());
a708("h2a,h1a") = (vab_oovv[h2a,h1b,p2a,p1b] * tab_vvoo[p2a,p1b,h1a,h1b]);
TiledArray::Array > a709(world, TiledArray::TiledRange());
a709("h2a,h1a") = (vaa_oovv[h2a,h3a,p2a,p3a] * taa_vvoo[p2a,p3a,h1a,h3a]);
TiledArray::Array > a365(world, TiledArray::TiledRange());
a365("h2b,p2b") = (vbb_oovv[h1b,h2b,p1b,p2b] * tb_vo[p1b,h1b]);
TiledArray::Array > a724(world, TiledArray::TiledRange());
a724("h2b,p2b") = (_a365[h2b,p2b] + _a377[h2b,p2b]);
TiledArray::Array > a588(world, TiledArray::TiledRange());
a588("h2a,h1b,p1b,h1a") = (_a587[h2a,h1b,p1b,h1a] + vab_ooov[h2a,h1b,h1a,p1b]);
TiledArray::Array > a589(world, TiledArray::TiledRange());
a589("p1a,h1a") = (tab_vvoo[p1a,p1b,h2a,h1b] * _a588[h2a,h1b,p1b,h1a]);
TiledArray::Array > a301(world, TiledArray::TiledRange());
a301("h2a,h3a,p3a,h1a") = (vaa_oovv[h2a,h3a,p2a,p3a] * ta_vo[p2a,h1a]);
TiledArray::Array > a685(world, TiledArray::TiledRange());
a685("h2a,h3a,p3a,h1a") = (_a301[h2a,h3a,p3a,h1a] - vaa_oovo[h2a,h3a,p3a,h1a]);
TiledArray::Array > a686(world, TiledArray::TiledRange());
a686("p1a,h1a") = (taa_vvoo[p1a,p3a,h2a,h3a] * _a685[h2a,h3a,p3a,h1a]);
TiledArray::Array > a1031(world, TiledArray::TiledRange());
a1031("h2a,p2a") = (_a371[h2a,p2a] + fa_ov[h2a,p2a]);
TiledArray::Array > a3880(world, TiledArray::TiledRange());
a3880("h2a,h1a") = (fa_ov[h2a,p2a] * ta_vo[p2a,h1a]);
TiledArray::Array > a3881(world, TiledArray::TiledRange());
a3881("h2a,h1a") = (_a3880[h2a,h1a] + fa_oo[h2a,h1a]);
TiledArray::Array > a3843(world, TiledArray::TiledRange());
a3843("h2a,h1a") = (vab_ooov[h2a,h1b,h1a,p1b] * tb_vo[p1b,h1b]);
TiledArray::Array > a501(world, TiledArray::TiledRange());
a501("p1a,h1a") = (vab_voov[p1a,h1b,h1a,p1b] * tb_vo[p1b,h1b]);
TiledArray::Array > a623(world, TiledArray::TiledRange());
a623("p2a,p1b,h1a,h1b") = (ta_vo[p2a,h1a] * tb_vo[p1b,h1b]);
TiledArray::Array > a3844(world, TiledArray::TiledRange());
a3844("h2a,h1a") = (vaa_oovo[h2a,h3a,p2a,h1a] * ta_vo[p2a,h3a]);
TiledArray::Array > a3845(world, TiledArray::TiledRange());
a3845("h2a,h1a") = (_a3843[h2a,h1a] - _a3844[h2a,h1a]);
TiledArray::Array > a3945(world, TiledArray::TiledRange());
a3945("h2a,h1a") = (_a3845[h2a,h1a] + _a3881[h2a,h1a]);
TiledArray::Array > a624(world, TiledArray::TiledRange());
a624("p2a,p1b,h1a,h1b") = (_a623[p2a,p1b,h1a,h1b] + tab_vvoo[p2a,p1b,h1a,h1b]);
TiledArray::Array > a625(world, TiledArray::TiledRange());
a625("p1a,h1a") = (vab_vovv[p1a,h1b,p2a,p1b] * _a624[p2a,p1b,h1a,h1b]);
TiledArray::Array > a502(world, TiledArray::TiledRange());
a502("p1a,h1a") = (vaa_vovo[p1a,h2a,p2a,h1a] * ta_vo[p2a,h2a]);
TiledArray::Array > a710(world, TiledArray::TiledRange());
a710("h2a,h1a") = ((2.0 * _a708[h2a,h1a]) + _a709[h2a,h1a]);
TiledArray::Array > a383(world, TiledArray::TiledRange());
a383("h3a,p3a") = (vaa_oovv[h2a,h3a,p2a,p3a] * ta_vo[p2a,h2a]);
TiledArray::Array > a2068(world, TiledArray::TiledRange());
a2068("h3a,p3a") = (_a1031[h3a,p3a] + _a383[h3a,p3a]);
TiledArray::Array > a2069(world, TiledArray::TiledRange());
a2069("p1a,h1a") = (taa_vvoo[p1a,p3a,h1a,h3a] * _a2068[h3a,p3a]);
TiledArray::Array > a3457(world, TiledArray::TiledRange());
a3457("h2a,h1a") = (ta_vo[p2a,h1a] * _a371[h2a,p2a]);
TiledArray::Array > a3463(world, TiledArray::TiledRange());
a3463("h2a,h1a") = (ta_vo[p3a,h3a] * _a301[h2a,h3a,p3a,h1a]);
TiledArray::Array > a3469(world, TiledArray::TiledRange());
a3469("h2a,h1a") = (_a3457[h2a,h1a] + _a3463[h2a,h1a]);
TiledArray::Array > a3969(world, TiledArray::TiledRange());
a3969("h2a,h1a") = ((2.0 * _a3469[h2a,h1a]) + _a710[h2a,h1a]);
TiledArray::Array > a3993(world, TiledArray::TiledRange());
a3993("h2a,h1a") = ((2.0 * _a3945[h2a,h1a]) + _a3969[h2a,h1a]);
TiledArray::Array > a3994(world, TiledArray::TiledRange());
a3994("p1a,h1a") = (ta_vo[p1a,h2a] * _a3993[h2a,h1a]);
TiledArray::Array > a2925(world, TiledArray::TiledRange());
a2925("h1b,p1b") = (_a724[h1b,p1b] + fb_ov[h1b,p1b]);
TiledArray::Array > a2926(world, TiledArray::TiledRange());
a2926("p1a,h1a") = (tab_vvoo[p1a,p1b,h1a,h1b] * _a2925[h1b,p1b]);
ra_vo[p1a,h1a] = (fa_vo[p1a,h1a] + (0.5 * _a287[p1a,h1a]) - _a589[p1a,h1a] + _a625[p1a,h1a] + (-0.5 * _a686[p1a,h1a]) + _a501[p1a,h1a] - _a502[p1a,h1a] + _a2069[p1a,h1a] + _a2926[p1a,h1a] + _a3990[p1a,h1a] + (-0.5 * _a3994[p1a,h1a]));
TiledArray::Array > a4156(world, TiledArray::TiledRange());
a4156("h2b,h1b") = (vbb_oovv[h2b,h3b,p2b,p3b] * tbb_vvoo[p2b,p3b,h1b,h3b]);
TiledArray::Array > a288(world, TiledArray::TiledRange());
a288("p1b,h1b") = (vbb_vovv[p1b,h2b,p2b,p3b] * tbb_vvoo[p2b,p3b,h1b,h2b]);
TiledArray::Array > a3996(world, TiledArray::TiledRange());
a3996("p1b,h1b") = (vab_ovvv[h1a,p1b,p1a,p2b] * _a624[p1a,p2b,h1a,h1b]);
TiledArray::Array > a4094(world, TiledArray::TiledRange());
a4094("h1a,h2b,p1a,h1b") = (vab_oovv[h1a,h2b,p1a,p2b] * tb_vo[p2b,h1b]);
TiledArray::Array > a4095(world, TiledArray::TiledRange());
a4095("h1a,h2b,p1a,h1b") = (_a4094[h1a,h2b,p1a,h1b] + vab_oovo[h1a,h2b,p1a,h1b]);
TiledArray::Array > a4096(world, TiledArray::TiledRange());
a4096("p1b,h1b") = (tab_vvoo[p1a,p1b,h1a,h2b] * _a4095[h1a,h2b,p1a,h1b]);
TiledArray::Array > a6407(world, TiledArray::TiledRange());
a6407("p1b,p2b") = (vbb_vovv[p1b,h2b,p2b,p3b] * tb_vo[p3b,h2b]);
TiledArray::Array > a6408(world, TiledArray::TiledRange());
a6408("p1b,p2b") = (_a6407[p1b,p2b] + fb_vv[p1b,p2b]);
TiledArray::Array > a6409(world, TiledArray::TiledRange());
a6409("p1b,h1b") = (tb_vo[p2b,h1b] * _a6408[p1b,p2b]);
TiledArray::Array > a4155(world, TiledArray::TiledRange());
a4155("h2b,h1b") = (vab_oovv[h1a,h2b,p1a,p2b] * tab_vvoo[p1a,p2b,h1a,h1b]);
TiledArray::Array > a6263(world, TiledArray::TiledRange());
a6263("h2b,h1b") = (vab_oovo[h1a,h2b,p1a,h1b] * ta_vo[p1a,h1a]);
TiledArray::Array > a6299(world, TiledArray::TiledRange());
a6299("h2b,h1b") = (fb_ov[h2b,p2b] * tb_vo[p2b,h1b]);
TiledArray::Array > a6262(world, TiledArray::TiledRange());
a6262("h2b,h1b") = (vbb_oovo[h2b,h3b,p2b,h1b] * tb_vo[p2b,h3b]);
TiledArray::Array > a6264(world, TiledArray::TiledRange());
a6264("h2b,h1b") = (_a6262[h2b,h1b] - _a6263[h2b,h1b]);
TiledArray::Array > a505(world, TiledArray::TiledRange());
a505("p1b,h1b") = (vbb_vovo[p1b,h2b,p2b,h1b] * tb_vo[p2b,h2b]);
TiledArray::Array > a4157(world, TiledArray::TiledRange());
a4157("h2b,h1b") = ((2.0 * _a4155[h2b,h1b]) + _a4156[h2b,h1b]);
TiledArray::Array > a5882(world, TiledArray::TiledRange());
a5882("h2b,h1b") = (tb_vo[p2b,h1b] * _a377[h2b,p2b]);
TiledArray::Array > a307(world, TiledArray::TiledRange());
a307("h2b,h3b,p3b,h1b") = (vbb_oovv[h2b,h3b,p2b,p3b] * tb_vo[p2b,h1b]);
TiledArray::Array > a5879(world, TiledArray::TiledRange());
a5879("h2b,h1b") = (tb_vo[p3b,h3b] * _a307[h2b,h3b,p3b,h1b]);
TiledArray::Array > a4132(world, TiledArray::TiledRange());
a4132("h2b,h3b,p3b,h1b") = (_a307[h2b,h3b,p3b,h1b] - vbb_oovo[h2b,h3b,p3b,h1b]);
TiledArray::Array > a4133(world, TiledArray::TiledRange());
a4133("p1b,h1b") = (tbb_vvoo[p1b,p3b,h2b,h3b] * _a4132[h2b,h3b,p3b,h1b]);
TiledArray::Array > a5888(world, TiledArray::TiledRange());
a5888("h2b,h1b") = (_a5879[h2b,h1b] + _a5882[h2b,h1b]);
TiledArray::Array > a6388(world, TiledArray::TiledRange());
a6388("h2b,h1b") = (_a4157[h2b,h1b] + (2.0 * _a5888[h2b,h1b]));
TiledArray::Array > a5421(world, TiledArray::TiledRange());
a5421("p1b,h1b") = (tbb_vvoo[p1b,p2b,h1b,h2b] * _a2925[h2b,p2b]);
TiledArray::Array > a4807(world, TiledArray::TiledRange());
a4807("p1b,h1b") = (tab_vvoo[p2a,p1b,h2a,h1b] * _a2068[h2a,p2a]);
TiledArray::Array > a6300(world, TiledArray::TiledRange());
a6300("h2b,h1b") = (_a6299[h2b,h1b] + fb_oo[h2b,h1b]);
TiledArray::Array > a6364(world, TiledArray::TiledRange());
a6364("h2b,h1b") = (_a6264[h2b,h1b] - _a6300[h2b,h1b]);
TiledArray::Array > a6412(world, TiledArray::TiledRange());
a6412("h2b,h1b") = ((2.0 * _a6364[h2b,h1b]) - _a6388[h2b,h1b]);
TiledArray::Array > a6413(world, TiledArray::TiledRange());
a6413("p1b,h1b") = (tb_vo[p1b,h2b] * _a6412[h2b,h1b]);
TiledArray::Array > a506(world, TiledArray::TiledRange());
a506("p1b,h1b") = (vab_ovvo("h1a,p1b,p1a,h1b") * ta_vo("p1a,h1a"));
rb_vo[p1b,h1b] = (fb_vo[p1b,h1b] + (0.5 * _a288[p1b,h1b]) + _a3996[p1b,h1b] - _a4096[p1b,h1b] + (-0.5 * _a4133[p1b,h1b]) - _a505[p1b,h1b] + _a506[p1b,h1b] + _a4807[p1b,h1b] + _a5421[p1b,h1b] + _a6409[p1b,h1b] + (0.5 * _a6413[p1b,h1b]));
tiledarray-0.6.0/examples/cc/t2.txt 0000664 0000000 0000000 00000164430 13016354706 0017163 0 ustar 00root root 0000000 0000000
TiledArray::Array > a24849(world, TiledArray::TiledRange());
a24849("p1a,p2a") = (vaa_vovv("p1a,h2a,p3a,p2a") * ta_vo("p3a,h2a"));
TiledArray::Array > a5246(world, TiledArray::TiledRange());
a5246("h2a,h1b,p2a,h2b") = (vab_oovv("h2a,h1b,p2a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a14811(world, TiledArray::TiledRange());
a14811("h1b,h2b") = (vbb_oovv("h1b,h3b,p1b,p3b") * tbb_vvoo("p1b,p3b,h2b,h3b"));
TiledArray::Array > a30368(world, TiledArray::TiledRange());
a30368("p1a,h1b,h2b,h1a") = (vab_vovo("p1a,h1b,p2a,h2b") * ta_vo("p2a,h1a"));
TiledArray::Array > a34826(world, TiledArray::TiledRange());
a34826("h2a,p2b,h1a,h2b") = (vab_ovvv("h2a,p2b,p2a,p1b") * tab_vvoo("p2a,p1b,h1a,h2b"));
TiledArray::Array > a9395(world, TiledArray::TiledRange());
a9395("p1a,p2a") = (vab_vovv("p1a,h1b,p2a,p1b") * tb_vo("p1b,h1b"));
TiledArray::Array > a3071(world, TiledArray::TiledRange());
a3071("h2a,p2b,p2a,h2b") = (vaa_oovv("h2a,h3a,p2a,p3a") * tab_vvoo("p3a,p2b,h3a,h2b"));
TiledArray::Array > a3715(world, TiledArray::TiledRange());
a3715("p1a,h1b,p2a,h2b") = (vab_vovv("p1a,h1b,p2a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a12895(world, TiledArray::TiledRange());
a12895("h1b,p1b") = (vab_oovv("h2a,h1b,p2a,p1b") * ta_vo("p2a,h2a"));
TiledArray::Array > a22682(world, TiledArray::TiledRange());
a22682("p2b,h2a,h1a,h2b") = (tab_vvoo("p2a,p2b,h1a,h1b") * _a5246("h2a,h1b,p2a,h2b"));
TiledArray::Array > a27108(world, TiledArray::TiledRange());
a27108("h2a,p2b,h2b,h1a") = (vab_oovo("h2a,h1b,p2a,h2b") * tab_vvoo("p2a,p2b,h1a,h1b"));
TiledArray::Array > a27232(world, TiledArray::TiledRange());
a27232("h1b,p1a,h2b,h1a") = (vbb_oovo("h1b,h3b,p1b,h2b") * tab_vvoo("p1a,p1b,h1a,h3b"));
TiledArray::Array > a27231(world, TiledArray::TiledRange());
a27231("h1b,p1a,h1a,h2b") = (vab_ooov("h2a,h1b,h1a,p1b") * tab_vvoo("p1a,p1b,h2a,h2b"));
TiledArray::Array > a27233(world, TiledArray::TiledRange());
a27233("h1b,p1a,h1a,h2b") = (_a27231("h1b,p1a,h1a,h2b") + _a27232("h1b,p1a,h2b,h1a"));
TiledArray::Array > a3023(world, TiledArray::TiledRange());
a3023("h1b,p2b,p1b,h2b") = (vbb_oovv("h1b,h3b,p1b,p3b") * tbb_vvoo("p2b,p3b,h2b,h3b"));
TiledArray::Array > a27296(world, TiledArray::TiledRange());
a27296("h1b,p1a,h2b,h1a") = (vab_oovo("h2a,h1b,p2a,h2b") * taa_vvoo("p1a,p2a,h1a,h2a"));
TiledArray::Array > a27297(world, TiledArray::TiledRange());
a27297("h1b,p1a,h1a,h2b") = (_a27233("h1b,p1a,h1a,h2b") + -_a27296("h1b,p1a,h2b,h1a"));
TiledArray::Array > a18241(world, TiledArray::TiledRange());
a18241("h3a,p2a") = (vaa_oovv("h2a,h3a,p2a,p3a") * ta_vo("p3a,h2a"));
TiledArray::Array > a18246(world, TiledArray::TiledRange());
a18246("h3a,h1a") = (ta_vo("p2a,h1a") * _a18241("h3a,p2a"));
TiledArray::Array > a12781(world, TiledArray::TiledRange());
a12781("h1b,p3b") = (vbb_oovv("h1b,h3b,p1b,p3b") * tb_vo("p1b,h3b"));
TiledArray::Array > a3029(world, TiledArray::TiledRange());
a3029("h1b,p2b,p1b,h2b") = (vab_oovv("h2a,h1b,p2a,p1b") * tab_vvoo("p2a,p2b,h2a,h2b"));
TiledArray::Array > a20662(world, TiledArray::TiledRange());
a20662("h1b,p2b,p1b,h2b") = (_a3023("h1b,p2b,p1b,h2b") + _a3029("h1b,p2b,p1b,h2b"));
TiledArray::Array > a3040(world, TiledArray::TiledRange());
a3040("h1b,p1a,p1b,h1a") = (vab_oovv("h2a,h1b,p2a,p1b") * taa_vvoo("p1a,p2a,h1a,h2a"));
TiledArray::Array > a34268(world, TiledArray::TiledRange());
a34268("h2a,p2b,p1b,h1a") = (vab_ovvv("h2a,p2b,p2a,p1b") * ta_vo("p2a,h1a"));
TiledArray::Array > a34269(world, TiledArray::TiledRange());
a34269("h2a,p2b,p1b,h1a") = (_a34268("h2a,p2b,p1b,h1a") + vab_ovov("h2a,p2b,h1a,p1b"));
TiledArray::Array > a34270(world, TiledArray::TiledRange());
a34270("p1a,p2b,h2b,h1a") = (tab_vvoo("p1a,p1b,h2a,h2b") * _a34269("h2a,p2b,p1b,h1a"));
TiledArray::Array > a23395(world, TiledArray::TiledRange());
a23395("h1b,p1a,h2b,h1a") = (tb_vo("p1b,h2b") * _a3040("h1b,p1a,p1b,h1a"));
TiledArray::Array > a28768(world, TiledArray::TiledRange());
a28768("h2a,p2a") = (vaa_oovv("h2a,h3a,p3a,p2a") * ta_vo("p3a,h3a"));
TiledArray::Array > a18471(world, TiledArray::TiledRange());
a18471("h3b,p1b") = (vbb_oovv("h1b,h3b,p1b,p3b") * tb_vo("p3b,h1b"));
TiledArray::Array > a29926(world, TiledArray::TiledRange());
a29926("h2a,p2b,h1a,h2b") = (fa_ov("h2a,p2a") * tab_vvoo("p2a,p2b,h1a,h2b"));
TiledArray::Array > a18476(world, TiledArray::TiledRange());
a18476("h3b,h2b") = (tb_vo("p1b,h2b") * _a18471("h3b,p1b"));
TiledArray::Array > a4801(world, TiledArray::TiledRange());
a4801("p2b,p1b") = (vab_oovv("h2a,h1b,p2a,p1b") * tab_vvoo("p2a,p2b,h2a,h1b"));
TiledArray::Array > a3685(world, TiledArray::TiledRange());
a3685("p1a,h2a,p3a,h1a") = (vaa_vovv("p1a,h2a,p2a,p3a") * ta_vo("p2a,h1a"));
TiledArray::Array > a34239(world, TiledArray::TiledRange());
a34239("p1a,h2a,p3a,h1a") = (_a3685("p1a,h2a,p3a,h1a") + -vaa_vovo("p1a,h2a,p3a,h1a"));
TiledArray::Array > a30499(world, TiledArray::TiledRange());
a30499("h2a,p2b,h2b,h1a") = (vab_ovvo("h2a,p2b,p2a,h2b") * ta_vo("p2a,h1a"));
TiledArray::Array > a34818(world, TiledArray::TiledRange());
a34818("p1a,h1b,h1a,h2b") = (vab_vovv("p1a,h1b,p2a,p1b") * tab_vvoo("p2a,p1b,h1a,h2b"));
TiledArray::Array > a4981(world, TiledArray::TiledRange());
a4981("p2b,p1b") = (vbb_oovv("h1b,h3b,p1b,p3b") * tbb_vvoo("p2b,p3b,h1b,h3b"));
TiledArray::Array > a21179(world, TiledArray::TiledRange());
a21179("p2b,p1b") = ((2.0 * _a4801("p2b,p1b")) + _a4981("p2b,p1b"));
TiledArray::Array > a10340(world, TiledArray::TiledRange());
a10340("p1a,p2b,h1a,h2b") = (vab_vvov("p1a,p2b,h1a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a19150(world, TiledArray::TiledRange());
a19150("h3a,h1a") = (vaa_oovo("h2a,h3a,p2a,h1a") * ta_vo("p2a,h2a"));
TiledArray::Array > a31209(world, TiledArray::TiledRange());
a31209("h3a,h1a") = (_a18246("h3a,h1a") + -_a19150("h3a,h1a"));
TiledArray::Array > a3197(world, TiledArray::TiledRange());
a3197("h1b,p2a,p1b,h2a") = (vbb_oovv("h1b,h2b,p1b,p2b") * tab_vvoo("p2a,p2b,h2a,h2b"));
TiledArray::Array > a13050(world, TiledArray::TiledRange());
a13050("h2a,h1a") = (vab_oovv("h2a,h1b,p2a,p1b") * tab_vvoo("p2a,p1b,h1a,h1b"));
TiledArray::Array > a30095(world, TiledArray::TiledRange());
a30095("p1a,h1b,h1a,h2b") = (vab_voov("p1a,h1b,h1a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a30094(world, TiledArray::TiledRange());
a30094("h1b,p1a,h1a,h2b") = (fb_ov("h1b,p1b") * tab_vvoo("p1a,p1b,h1a,h2b"));
TiledArray::Array > a18706(world, TiledArray::TiledRange());
a18706("h1b,h2b") = (tb_vo("p1b,h2b") * _a12895("h1b,p1b"));
TiledArray::Array > a32872(world, TiledArray::TiledRange());
a32872("h3b,h2b") = (_a18476("h3b,h2b") + -_a18706("h3b,h2b"));
TiledArray::Array > a19350(world, TiledArray::TiledRange());
a19350("h2a,h1a") = (fa_ov("h2a,p2a") * ta_vo("p2a,h1a"));
TiledArray::Array > a3655(world, TiledArray::TiledRange());
a3655("p1a,h1b,p1b,h1a") = (vab_vovv("p1a,h1b,p2a,p1b") * ta_vo("p2a,h1a"));
TiledArray::Array > a24960(world, TiledArray::TiledRange());
a24960("h1b,p1a,p1b,h1a") = (_a3197("h1b,p1a,p1b,h1a") + _a3655("p1a,h1b,p1b,h1a"));
TiledArray::Array > a26520(world, TiledArray::TiledRange());
a26520("h1b,p1a,h2b,h1a") = (tb_vo("p1b,h2b") * _a24960("h1b,p1a,p1b,h1a"));
TiledArray::Array > a5130(world, TiledArray::TiledRange());
a5130("h2a,h1b,p1b,h1a") = (vab_oovv("h2a,h1b,p2a,p1b") * ta_vo("p2a,h1a"));
TiledArray::Array > a22677(world, TiledArray::TiledRange());
a22677("p2b,h2a,h2b,h1a") = (tbb_vvoo("p2b,p1b,h2b,h1b") * _a5130("h2a,h1b,p1b,h1a"));
TiledArray::Array > a22689(world, TiledArray::TiledRange());
a22689("p2b,h2a,h2b,h1a") = (_a22677("p2b,h2a,h2b,h1a") + -_a22682("p2b,h2a,h1a,h2b"));
TiledArray::Array > a9575(world, TiledArray::TiledRange());
a9575("p2b,p1b") = (vab_ovvv("h2a,p2b,p2a,p1b") * ta_vo("p2a,h2a"));
TiledArray::Array > a34095(world, TiledArray::TiledRange());
a34095("p2a,p1b,h1a,h2b") = (ta_vo("p2a,h1a") * tb_vo("p1b,h2b"));
TiledArray::Array > a34096(world, TiledArray::TiledRange());
a34096("p2a,p1b,h1a,h2b") = (_a34095("p2a,p1b,h1a,h2b") + tab_vvoo("p2a,p1b,h1a,h2b"));
TiledArray::Array > a34097(world, TiledArray::TiledRange());
a34097("p1a,p2b,h1a,h2b") = (vab_vvvv("p1a,p2b,p2a,p1b") * _a34096("p2a,p1b,h1a,h2b"));
TiledArray::Array > a19210(world, TiledArray::TiledRange());
a19210("h1b,h2b") = (vab_oovo("h2a,h1b,p2a,h2b") * ta_vo("p2a,h2a"));
TiledArray::Array > a24850(world, TiledArray::TiledRange());
a24850("p1a,p2a") = (_a24849("p1a,p2a") + -_a9395("p1a,p2a"));
TiledArray::Array > a27056(world, TiledArray::TiledRange());
a27056("h2a,p2b,h1a,h2b") = (vaa_oovo("h2a,h3a,p2a,h1a") * tab_vvoo("p2a,p2b,h3a,h2b"));
TiledArray::Array > a29927(world, TiledArray::TiledRange());
a29927("h2a,p2b,h1a,h2b") = (vab_ovov("h2a,p2b,h1a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a29928(world, TiledArray::TiledRange());
a29928("h2a,p2b,h1a,h2b") = (_a29926("h2a,p2b,h1a,h2b") + _a29927("h2a,p2b,h1a,h2b"));
TiledArray::Array > a30500(world, TiledArray::TiledRange());
a30500("h2a,p2b,h1a,h2b") = (_a29928("h2a,p2b,h1a,h2b") + _a30499("h2a,p2b,h2b,h1a"));
TiledArray::Array > a3775(world, TiledArray::TiledRange());
a3775("p2b,h1b,p3b,h2b") = (vbb_vovv("p2b,h1b,p1b,p3b") * tb_vo("p1b,h2b"));
TiledArray::Array > a21116(world, TiledArray::TiledRange());
a21116("p2b,h1b,p3b,h2b") = (_a3775("p2b,h1b,p3b,h2b") + -vbb_vovo("p2b,h1b,p3b,h2b"));
TiledArray::Array > a34382(world, TiledArray::TiledRange());
a34382("h1b,p2b,p1b,h2b") = (_a20662("h1b,p2b,p1b,h2b") + _a21116("p2b,h1b,p1b,h2b"));
TiledArray::Array > a34383(world, TiledArray::TiledRange());
a34383("p1a,p2b,h1a,h2b") = (tab_vvoo("p1a,p1b,h1a,h1b") * _a34382("h1b,p2b,p1b,h2b"));
TiledArray::Array > a12541(world, TiledArray::TiledRange());
a12541("h2a,p2a") = (vab_oovv("h2a,h1b,p2a,p1b") * tb_vo("p1b,h1b"));
TiledArray::Array > a18015(world, TiledArray::TiledRange());
a18015("h2a,h1a") = (ta_vo("p2a,h1a") * _a12541("h2a,p2a"));
TiledArray::Array > a28769(world, TiledArray::TiledRange());
a28769("h2a,p2a") = (_a12541("h2a,p2a") + -_a28768("h2a,p2a"));
TiledArray::Array > a34717(world, TiledArray::TiledRange());
a34717("p1a,p2a") = (ta_vo("p1a,h2a") * _a28769("h2a,p2a"));
TiledArray::Array > a34718(world, TiledArray::TiledRange());
a34718("p1a,p2a") = (_a34717("p1a,p2a") + -fa_vv("p1a,p2a"));
TiledArray::Array > a27055(world, TiledArray::TiledRange());
a27055("h2a,p2b,h1a,h2b") = (vab_ooov("h2a,h1b,h1a,p1b") * tbb_vvoo("p2b,p1b,h2b,h1b"));
TiledArray::Array > a27057(world, TiledArray::TiledRange());
a27057("h2a,p2b,h1a,h2b") = (_a27055("h2a,p2b,h1a,h2b") + -_a27056("h2a,p2b,h1a,h2b"));
TiledArray::Array > a27109(world, TiledArray::TiledRange());
a27109("h2a,p2b,h1a,h2b") = (_a27057("h2a,p2b,h1a,h2b") + -_a27108("h2a,p2b,h2b,h1a"));
TiledArray::Array > a13021(world, TiledArray::TiledRange());
a13021("h1b,h2b") = (vab_oovv("h2a,h1b,p2a,p1b") * tab_vvoo("p2a,p1b,h2a,h2b"));
TiledArray::Array > a5011(world, TiledArray::TiledRange());
a5011("p1a,p2a") = (vaa_oovv("h2a,h3a,p2a,p3a") * taa_vvoo("p1a,p3a,h2a,h3a"));
TiledArray::Array > a10295(world, TiledArray::TiledRange());
a10295("h2a,h1b,h2b,h1a") = (vab_oovo("h2a,h1b,p2a,h2b") * ta_vo("p2a,h1a"));
TiledArray::Array > a19380(world, TiledArray::TiledRange());
a19380("h1b,h2b") = (fb_ov("h1b,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a34092(world, TiledArray::TiledRange());
a34092("h1b,h2b") = (_a19380("h1b,h2b") + fb_oo("h1b,h2b"));
TiledArray::Array > a3805(world, TiledArray::TiledRange());
a3805("h2a,p2b,p2a,h2b") = (vab_ovvv("h2a,p2b,p2a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a34780(world, TiledArray::TiledRange());
a34780("h2a,p2b,h1a,h2b") = (vab_oooo("h2a,h1b,h1a,h2b") * tb_vo("p2b,h1b"));
TiledArray::Array > a34781(world, TiledArray::TiledRange());
a34781("h2a,p2b,h1a,h2b") = (_a30500("h2a,p2b,h1a,h2b") + -_a34780("h2a,p2b,h1a,h2b"));
TiledArray::Array > a34862(world, TiledArray::TiledRange());
a34862("h2a,p2b,h1a,h2b") = (_a27109("h2a,p2b,h1a,h2b") + _a34781("h2a,p2b,h1a,h2b"));
TiledArray::Array > a19120(world, TiledArray::TiledRange());
a19120("h2a,h1a") = (vab_ooov("h2a,h1b,h1a,p1b") * tb_vo("p1b,h1b"));
TiledArray::Array > a30722(world, TiledArray::TiledRange());
a30722("h2a,h1a") = (_a18015("h2a,h1a") + _a19120("h2a,h1a"));
TiledArray::Array > a33997(world, TiledArray::TiledRange());
a33997("h2a,h1a") = (_a19350("h2a,h1a") + _a30722("h2a,h1a"));
TiledArray::Array > a34052(world, TiledArray::TiledRange());
a34052("h3a,h1a") = (_a31209("h3a,h1a") + -_a33997("h3a,h1a"));
TiledArray::Array > a34240(world, TiledArray::TiledRange());
a34240("p2b,p1a,h2b,h1a") = (tab_vvoo("p3a,p2b,h2a,h2b") * _a34239("p1a,h2a,p3a,h1a"));
TiledArray::Array > a10265(world, TiledArray::TiledRange());
a10265("h2a,h1b,h1a,h2b") = (vab_ooov("h2a,h1b,h1a,p1b") * tb_vo("p1b,h2b"));
TiledArray::Array > a27051(world, TiledArray::TiledRange());
a27051("h2a,h1b,h1a,h2b") = (_a10265("h2a,h1b,h1a,h2b") + _a10295("h2a,h1b,h2b,h1a"));
TiledArray::Array > a30369(world, TiledArray::TiledRange());
a30369("p1a,h1b,h1a,h2b") = (ta_vo("p1a,h2a") * _a27051("h2a,h1b,h1a,h2b"));
TiledArray::Array > a30370(world, TiledArray::TiledRange());
a30370("p1a,h1b,h2b,h1a") = (_a30368("p1a,h1b,h2b,h1a") + -_a30369("p1a,h1b,h1a,h2b"));
TiledArray::Array > a34703(world, TiledArray::TiledRange());
a34703("h2a,h1b,h1a,h2b") = (_a27051("h2a,h1b,h1a,h2b") + vab_oooo("h2a,h1b,h1a,h2b"));
TiledArray::Array > a9515(world, TiledArray::TiledRange());
a9515("p2b,p3b") = (vbb_vovv("p2b,h1b,p1b,p3b") * tb_vo("p1b,h1b"));
TiledArray::Array > a24289(world, TiledArray::TiledRange());
a24289("p2b,p3b") = (_a9515("p2b,p3b") + -_a9575("p2b,p3b"));
TiledArray::Array > a34649(world, TiledArray::TiledRange());
a34649("p2b,p1b") = (_a21179("p2b,p1b") + (2.0 * _a24289("p2b,p1b")));
TiledArray::Array > a34888(world, TiledArray::TiledRange());
a34888("p2b,p1b") = (_a34649("p2b,p1b") + (-2.0 * fb_vv("p2b,p1b")));
TiledArray::Array > a34889(world, TiledArray::TiledRange());
a34889("p1a,p2b,h1a,h2b") = (tab_vvoo("p1a,p1b,h1a,h2b") * _a34888("p2b,p1b"));
TiledArray::Array > a25416(world, TiledArray::TiledRange());
a25416("h2a,p2b,p2a,h2b") = (_a3071("h2a,p2b,p2a,h2b") + _a3805("h2a,p2b,p2a,h2b"));
TiledArray::Array > a34809(world, TiledArray::TiledRange());
a34809("h2a,p2b,p2a,h2b") = (_a25416("h2a,p2b,p2a,h2b") + vab_ovvo("h2a,p2b,p2a,h2b"));
TiledArray::Array 
### Synopsis
TiledArray is a scalable, block-sparse tensor framework for rapid composition of high-performance tensor arithmetic, appearing for example in many-body quantum mechanics. It allows users to compose tensor expressions of arbitrary complexity in native C++ code that closely resembles the standard mathematical notation. The framework is designed to scale from a single multicore computer to a massive distributed-memory multiprocessor.
TiledArray is built on top of MADNESS parallel runtime (MADWorld), part of [MADNESS numerical calculus framework](https://github.com/m-a-d-n-e-s-s/madness).
TiledArray is a work in progress. Its development has been possible thanks to generous support from the U.S. National Science Foundation, the Alfred P. Sloan Foundation, the Camille and Henry Dreyfus Foundation, and the Department of Energy.
### Design Goals
* General-purpose arithmetic on dense and block-sparse tensors;
* High-level (math-like) composition as well as full access to low-level data and algorithms, both from C++
* Massive shared- and distributed-memory parallelism
* Deeply-reusable framework: everything can be customized, from tile types (e.g. to support on-disk or compute-on-the-fly tensors) to how the structure of sparse tensors is described.
### Example Code
The following example expressions are written in C++ with TiledArray. TiledArray use the [Einstein summation convention](http://en.wikipedia.org/wiki/Einstein_notation) when evaluating tensor expressions.
* Matrix-matrix multiplication
```c++
C("m,n") = 2.0 * A("m,k") * B("k,n");
```
* Matrix-vector multiplication
```c++
C("n") = A("k") * B("k,n");
```
* A more complex tensor expression
```c++
E("m,n") = 2.0 * A("m,k") * B("k,n") + C("k,n") * D("k,m");
```
The following application is a minimal example of a distributed-memory matrix multiplcation.
```c++
#include