densfromf_sparse.h
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00028 #ifndef DENSFROMFSPARSEHEADER
00029 #define DENSFROMFSPARSEHEADER
00030
00031 #include "realtype.h"
00032 #include "matrix_typedefs.h"
00033
00034 int get_dens_from_fock_sparse(int n,
00035 int noOfOccupiedOrbs,
00036 symmMatrix & resultDens,
00038 ergo_real factor,
00039 symmMatrix const & Finput,
00041 intervalType & homoInterval_Finput,
00043 intervalType & lumoInterval_Finput,
00045 triangMatrix const & invCholFactor,
00046 ergo_real invCholFactor_euclnorm,
00047 ergo_real gap_expected_lower_bound,
00048 mat::SizesAndBlocks const & matrixSizesAndBlocks,
00049 symmMatrix & F_ort_prev,
00052 intervalType & homoInterval_F_ort_prev,
00055 intervalType & lumoInterval_F_ort_prev,
00058 ergo_real eigvalueErrorLimit,
00059 ergo_real subspaceErrorLimit,
00060 mat::normType const truncationNormPurification,
00062 int maxMul,
00063 int create_m_files,
00064 int ignore_purification_failure,
00065 int use_rand_perturbation_for_alleigsint,
00066 std::string stats_prefix,
00067 std::map<std::string, double> & puri_stats,
00068 int do_sparsity_investigation,
00069 int sparsity_plots_resolution_m,
00070 int do_comparison_to_simple_purification,
00071 generalVector * eigVecLUMO = 0,
00072 generalVector * eigVecHOMO = 0
00073 );
00074
00075 #endif