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Searched refs:init_interaction_radii_orb_basis (Results 1 – 11 of 11) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_interactions.F57 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 …]
H A Dec_environment.F38 USE qs_interactions, ONLY: init_interaction_radii_orb_basis
175 CALL init_interaction_radii_orb_basis(harris_basis, eps_pgf_orb)
H A Dmao_methods.F54 USE qs_interactions, ONLY: init_interaction_radii_orb_basis
558 CALL init_interaction_radii_orb_basis(pbasis, eps_pgf_orb)
H A Dhfx_ri.F66 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)
H A Dxas_tdp_methods.F84 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)
H A Dhfx_types.F78 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_interactions.F58 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 …]
H A Dkg_environment.F67 USE qs_interactions, ONLY: init_interaction_radii_orb_basis
240 CALL init_interaction_radii_orb_basis(harris_basis, eps_pgf_orb)
H A Dmao_methods.F54 USE qs_interactions, ONLY: init_interaction_radii_orb_basis
558 CALL init_interaction_radii_orb_basis(pbasis, eps_pgf_orb)
H A Dxas_tdp_methods.F84 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)
H A Dmp2.F109 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)