1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130
|
/* Ergo, version 3.8.2, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2023 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* 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 <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* Ergo: An open-source program for linear-scaling electronic structure
* calculations,
* Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
* Kruchinina,
* SoftwareX 7, 107 (2018),
* <http://dx.doi.org/10.1016/j.softx.2018.03.005>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
/** @file source/registration.cc
@brief Registration of task types and chunk types, relevant only
if configuring ergo to use Chunks and Tasks.
*/
#include "registration.h"
#ifdef USE_CHUNKS_AND_TASKS
/* CHTTL registration stuff */
CHTTL_REGISTER_CHUNK_TYPE((chttl::Basic<int>));
CHTTL_REGISTER_CHUNK_TYPE((chttl::Basic<real>));
CHTTL_REGISTER_CHUNK_TYPE((chttl::Basic<size_t>));
CHTTL_REGISTER_CHUNK_TYPE((chttl::ChunkVector<int>));
CHTTL_REGISTER_CHUNK_TYPE((chttl::ChunkVector<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicAdd<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicMin<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicMax<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicAdd<size_t>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicSqrt<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::BasicMultiply<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::ChunkVectorAdd<real>));
CHTTL_REGISTER_TASK_TYPE((chttl::ChunkVectorGetElement<real>));
/* CHTML registration stuff */
CHTML_REGISTER_CHUNK_TYPE((chtml::Matrix<LeafMatrixType >));
CHTML_REGISTER_CHUNK_TYPE((chtml::MatrixParams<LeafMatrixType >));
//
CHTML_REGISTER_TASK_TYPE((chtml::MatrixGetElements<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMultiply<LeafMatrixType, false, true >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMultiply<LeafMatrixType, false, false >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMultiply<LeafMatrixType, true, true >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMultiply<LeafMatrixType, true, false >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmMultiply<LeafMatrixType, true, false>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmMultiply<LeafMatrixType, false, true>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmSquare<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmRK<LeafMatrixType, true >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmRK<LeafMatrixType, false >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixRescale<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixNNZ<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAssignFromChunkIDs<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixCombineElements<double>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAdd<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAbs<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMaxElement<LeafMatrixType> ));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixMinElement<LeafMatrixType> ));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAddScaledIdentity<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAssignToScaledIdentity<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixAssignFromSparse<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSquaredFrobOfErrorMatrix<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSquaredFrobOfErrorMatrixSymm<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixNormFrobenius<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixNormFrobeniusSymm<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixFrobTruncLowestLevel<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixFrobTruncLowestLevelSymm<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTruncFrobenius2<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTruncFrobeniusHelper<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTruncFrobeniusSymm<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTruncFrobeniusHelperSymm<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixInvChol<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTranspose<LeafMatrixType >));
CHTML_REGISTER_CHUNK_TYPE((chtml::ChunkMatrixElements<real>));
CHTML_REGISTER_TASK_TYPE((chtml::ChunkMatrixElementsAppend<real>));
CHTML_REGISTER_TASK_TYPE((chtml::GetSubmatrixElements<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::SetSubmatrix<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::SetSubmatrix_B_null<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::SetSubmatrix_A_null<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixTrace<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixColsSumsPart<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixColsSums<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixRowsSumsPart<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixGetDiagPart<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixGetDiag<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::CombineVectors<chttl::ChunkVector<real> >));
CHTML_REGISTER_TASK_TYPE((chtml::CombineVectors_a1_null<chttl::ChunkVector<real> >));
CHTML_REGISTER_TASK_TYPE((chtml::CombineVectors_a2_null<chttl::ChunkVector<real> >));
CHTML_REGISTER_TASK_TYPE((chtml::getGershgorinBoundsGenTask<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::getGershgorinBoundsGenTaskNew<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::getGershgorinBoundsSymmTask<LeafMatrixType >));
CHTML_REGISTER_TASK_TYPE((chtml::GetEigMinMaxPart<real>));
CHTML_REGISTER_TASK_TYPE((chtml::CompareEigMinMaxParts<real>));
CHTML_REGISTER_TASK_TYPE((chtml::GetEigMinMaxPartZeroDiag<real>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixNNZDiagLeafs<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSqFrobNormDiffGen<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::GeneralToSymmetric<LeafMatrixType>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmMultiplyUpperTr<LeafMatrixType, false, true>));
CHTML_REGISTER_TASK_TYPE((chtml::MatrixSymmMultiplyUpperTr<LeafMatrixType, true, false>));
CHTML_REGISTER_TASK_TYPE((chtml::CreateChunkVectorFromChunkIDs<real>));
#endif
|