Searched refs:init_interaction_radii_orb_basis (Results 1 – 11 of 11) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_interactions.F | 57 PUBLIC :: init_interaction_radii, init_se_nlradius, init_interaction_radii_orb_basis 138 CALL init_interaction_radii_orb_basis(orb_basis_set, qs_control%eps_pgf_orb, & 295 CALL init_interaction_radii_orb_basis(aux_basis_set, qs_control%eps_pgf_orb) 305 CALL init_interaction_radii_orb_basis(mao_basis, qs_control%eps_pgf_orb) 310 CALL init_interaction_radii_orb_basis(harris_basis, qs_control%eps_pgf_orb) 315 CALL init_interaction_radii_orb_basis(aux_gw_basis, qs_control%eps_pgf_orb) 321 CALL init_interaction_radii_orb_basis(soft_basis, qs_control%eps_pgf_orb) 327 CALL init_interaction_radii_orb_basis(lri_basis, qs_control%eps_pgf_orb) 330 CALL init_interaction_radii_orb_basis(ri_basis, qs_control%eps_pgf_orb) 333 CALL init_interaction_radii_orb_basis(ri_xas_basis, qs_control%eps_pgf_orb) [all …]
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H A D | ec_environment.F | 38 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 175 CALL init_interaction_radii_orb_basis(harris_basis, eps_pgf_orb)
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H A D | mao_methods.F | 54 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 558 CALL init_interaction_radii_orb_basis(pbasis, eps_pgf_orb)
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H A D | hfx_ri.F | 66 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 389 CALL init_interaction_radii_orb_basis(orb_basis, ri_data%eps_pgf_orb) 488 CALL init_interaction_radii_orb_basis(orb_basis, dft_control%qs_control%eps_pgf_orb)
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H A D | xas_tdp_methods.F | 84 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 489 … CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=dft_control%qs_control%eps_pgf_orb) 681 CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=xas_tdp_control%eps_pgf) 683 CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=xas_tdp_control%eps_pgf)
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H A D | hfx_types.F | 78 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 1237 CALL init_interaction_radii_orb_basis(ri_aux_basis_set, ri_data%eps_pgf_orb)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_interactions.F | 58 PUBLIC :: init_interaction_radii, init_se_nlradius, init_interaction_radii_orb_basis 143 CALL init_interaction_radii_orb_basis(orb_basis_set, qs_control%eps_pgf_orb, & 296 CALL init_interaction_radii_orb_basis(aux_basis_set, qs_control%eps_pgf_orb) 306 CALL init_interaction_radii_orb_basis(mao_basis, qs_control%eps_pgf_orb) 311 CALL init_interaction_radii_orb_basis(harris_basis, qs_control%eps_pgf_orb) 316 CALL init_interaction_radii_orb_basis(aux_gw_basis, qs_control%eps_pgf_orb) 322 CALL init_interaction_radii_orb_basis(soft_basis, qs_control%eps_pgf_orb) 328 CALL init_interaction_radii_orb_basis(lri_basis, qs_control%eps_pgf_orb) 331 CALL init_interaction_radii_orb_basis(ri_basis, qs_control%eps_pgf_orb) 334 CALL init_interaction_radii_orb_basis(ri_xas_basis, qs_control%eps_pgf_orb) [all …]
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H A D | kg_environment.F | 67 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 240 CALL init_interaction_radii_orb_basis(harris_basis, eps_pgf_orb)
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H A D | mao_methods.F | 54 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 558 CALL init_interaction_radii_orb_basis(pbasis, eps_pgf_orb)
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H A D | xas_tdp_methods.F | 84 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 489 … CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=dft_control%qs_control%eps_pgf_orb) 681 CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=xas_tdp_control%eps_pgf) 683 CALL init_interaction_radii_orb_basis(tmp_basis, eps_pgf_orb=xas_tdp_control%eps_pgf)
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H A D | mp2.F | 109 USE qs_interactions, ONLY: init_interaction_radii_orb_basis 344 … CALL init_interaction_radii_orb_basis(ri_aux_basis_set, dft_control%qs_control%eps_pgf_orb)
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