Searched refs:ri_hfx_basis (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | basis_set_output.F | 64 ri_aux_basis, ri_hfx_basis, & local
96 CALL get_qs_kind(qs_kind, basis_set=ri_hfx_basis, basis_type="RI_HFX")
125 IF (ASSOCIATED(ri_hfx_basis)) THEN
127 CALL basis_out(ri_hfx_basis, element_symbol, bname, iunit)
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| H A D | qs_environment.F | 525 ri_aux_basis_set, ri_hfx_basis, & local
802 NULLIFY (ri_hfx_basis)
804 CALL get_qs_kind(qs_kind=qs_kind, basis_set=ri_hfx_basis, &
806 IF (.NOT. (ASSOCIATED(ri_hfx_basis))) THEN
811 CALL create_ri_aux_basis_set(ri_hfx_basis, qs_kind, dft_control%auto_basis_ri_hfx)
813 CALL add_basis_set_to_container(qs_kind%basis_sets, ri_hfx_basis, "RI_HFX")
822 NULLIFY (ri_hfx_basis)
824 CALL get_qs_kind(qs_kind, basis_set=ri_hfx_basis, basis_type="RI_HXC")
825 IF (.NOT. (ASSOCIATED(ri_hfx_basis))) THEN
830 CALL create_ri_aux_basis_set(ri_hfx_basis, qs_kind, dft_control%auto_basis_ri_hxc)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | basis_set_container_types.F | 42 ri_hfx_basis = 115 variable
104 basis_type_nr = ri_hfx_basis
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_environment.F | 509 ri_hfx_basis, ri_xas_basis, & local
782 NULLIFY (ri_hfx_basis)
784 CALL get_qs_kind(qs_kind, basis_set=ri_hfx_basis, basis_type="RI_HXC")
785 IF (.NOT. (ASSOCIATED(ri_hfx_basis))) THEN
790 CALL create_ri_aux_basis_set(ri_hfx_basis, qs_kind, dft_control%auto_basis_ri_hxc)
791 CALL add_basis_set_to_container(qs_kind%basis_sets, ri_hfx_basis, "RI_HXC")
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