1 //////////////////////////////////////////////////////////////////////////////// 2 // This file is distributed under the University of Illinois/NCSA Open Source 3 // License. See LICENSE file in top directory for details. 4 // 5 // Copyright (c) 2016 Jeongnim Kim and QMCPACK developers. 6 // 7 // File developed by: 8 // 9 // File created by: 10 // Miguel Morales, moralessilva2@llnl.gov, Lawrence Livermore National Laboratory 11 //////////////////////////////////////////////////////////////////////////////// 12 13 #ifndef AFQMC_HSPOTENTIAL_HELPERS_H 14 #define AFQMC_HSPOTENTIAL_HELPERS_H 15 16 #include <vector> 17 #include "AFQMC/config.h" 18 #include "AFQMC/Utilities/taskgroup.h" 19 20 namespace qmcplusplus 21 { 22 namespace afqmc 23 { 24 namespace HamHelper 25 { 26 std::vector<std::size_t> count_nnz_per_cholvec(double cut, TaskGroup_& TG, SpVType_shm_csr_matrix& V2, int NMO); 27 28 std::vector<std::size_t> count_nnz_per_ik(double cut, 29 TaskGroup_& TG, 30 SpVType_shm_csr_matrix& V2, 31 int NMO, 32 int cv0, 33 int cvN); 34 35 void generateHSPotential(SpVType_shm_csr_matrix& vn, 36 std::vector<int> const& map_, 37 double cut, 38 TaskGroup_& TG, 39 SpVType_shm_csr_matrix& V2, 40 int NMO, 41 int cv0, 42 int cvN); 43 44 } // namespace HamHelper 45 46 } // namespace afqmc 47 } // namespace qmcplusplus 48 #endif 49