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Searched defs:inversePermutationHML (Results 1 – 13 of 13) sorted by relevance

/dports/science/ergo/ergo-3.8/source/test/
H A Dvmat_test.cc97 std::vector<int> permutationHML, inversePermutationHML; in test_S_V_comparison() local
190 std::vector<int> permutationHML, inversePermutationHML; in test_V_by_explicit_comparison() local
359 std::vector<int> permutationHML, inversePermutationHML; in test_V_by_explicit_comparison_tight() local
H A Dmany_h_atoms_test.cc95 const std::vector<int> & inversePermutationHML, in get_HML_K()
116 const std::vector<int> & inversePermutationHML, in get_HML_G_matrix()
147 const std::vector<int> & inversePermutationHML) { in report_max_abs_element_of_matrix()
272 std::vector<int> permutationHML, inversePermutationHML; in get_energy() local
H A Dnaive_response_test.cc105 const std::vector<int> & inversePermutationHML, in get_HML_K()
126 const std::vector<int> & inversePermutationHML, in get_HML_G_matrix()
140 const std::vector<int> & inversePermutationHML, in get_HML_dens_matrix()
226 const std::vector<int> & inversePermutationHML, in do_HF_HML()
424 std::vector<int> permutationHML, inversePermutationHML; in main() local
H A Dgradient_test.cc133 const std::vector<int> & inversePermutationHML, in get_gradient_using_explicit_integrals()
206 std::vector<int> permutationHML, inversePermutationHML; in test_gradient_by_explicit_comparison() local
H A Dkmat_test.cc107 std::vector<int> inversePermutationHML(bis.noOfBasisFuncs); in main() local
H A Dkmat_nosymm_test.cc109 std::vector<int> inversePermutationHML(bis.noOfBasisFuncs); in main() local
H A Dkmat_symm_test.cc109 std::vector<int> inversePermutationHML(bis.noOfBasisFuncs); in main() local
/dports/science/ergo/ergo-3.8/source/scf/
H A Dscf_utils.cc213 std::vector<int> const & inversePermutationHML; member in Kworker
244 std::vector<int> const & inversePermutationHML, in do_acc_scan_K()
330 std::vector<int> const & inversePermutationHML, in do_acc_scan_Vxc()
737 std::vector<int> const & inversePermutationHML) in save_symmetric_matrix()
960 std::vector<int> const & inversePermutationHML) in write_full_matrix()
1025 std::vector<int> const & inversePermutationHML, in get_2e_matrix_and_energy_simple_HF_sparse()
1090 std::vector<int> const & inversePermutationHML, in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted()
1544 std::vector<int> const & inversePermutationHML, in get_2e_matrix_and_energy_sparse()
2234 std::vector<int> const & inversePermutationHML, in get_mulliken_charges()
2301 std::vector<int> const & inversePermutationHML, in do_mulliken_atomic_charges()
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H A Dscf.h279 std::vector<int> inversePermutationHML; member
H A DSCF_restricted.cc854 static int write_matrix_to_file(symmMatrix& M, const std::vector<int>& inversePermutationHML, const… in write_matrix_to_file()
/dports/science/ergo/ergo-3.8/source/utilities/
H A Dintegral_matrix_wrappers.cc693 std::vector<int> const & inversePermutationHML, in get_CSR_from_symmMatrix()
749 std::vector<int> const & inversePermutationHML, in get_CSR_from_normalMatrix()
801 std::vector<int> const & inversePermutationHML) in compute_K_by_boxes_sparse()
899 std::vector<int> const & inversePermutationHML) in compute_K_by_boxes_sparse_nosymm()
H A Dmatrix_utilities.cc363 std::vector<int> const & inversePermutationHML) in check_if_matrix_contains_strange_elements()
/dports/science/ergo/ergo-3.8/source/electron_dynamics/
H A Dtdhf_dynamics.cc78 std::vector<int> const & inversePermutationHML, in get_Fock_matrix_in_ort_basis()
294 std::vector<int> const & inversePermutationHML) { in compute_exp_of_matrix()