Searched defs:do_xc (Results 1 – 9 of 9) sorted by relevance
| /dports/science/ergo/ergo-3.8/source/scf/ |
| H A D | scf_utils.cc | 1174 int do_xc, in get_2e_matrix_and_energy_simple_sparse()
1330 int do_xc, in get_2e_matrices_and_energy_simple_sparse_unrestricted()
1539 int do_xc, in get_2e_matrix_and_energy_sparse()
1731 int do_xc, in get_2e_matrices_and_energy_sparse_unrestricted()
1939 int do_xc, in get_2e_matrices_and_energy_restricted_open()
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_types.F | 109 LOGICAL :: do_xc component
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| H A D | xas_tdp_atom.F | 161 LOGICAL :: do_soc, do_xc local
227 SUBROUTINE init_xas_atom_grid_harmo(xas_atom_env, grid_info, do_xc, qs_env) argument
232 LOGICAL, INTENT(IN) :: do_xc local
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| H A D | xas_tdp_kernel.F | 95 do_xc, found local
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| H A D | xas_tdp_utils.F | 223 do_sg, do_tda, do_tp, do_xc local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_types.F | 110 LOGICAL :: do_xc component
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| H A D | xas_tdp_atom.F | 163 LOGICAL :: do_soc, do_xc local
229 SUBROUTINE init_xas_atom_grid_harmo(xas_atom_env, grid_info, do_xc, qs_env) argument
234 LOGICAL, INTENT(IN) :: do_xc local
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| H A D | xas_tdp_kernel.F | 94 do_xc, found local
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| H A D | xas_tdp_utils.F | 166 do_sg, do_tda, do_tp, do_xc local
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