Searched refs:ri_aux_basis (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | basis_set_output.F | 64 ri_aux_basis, ri_hfx_basis, & local 92 NULLIFY (orb_basis, ri_aux_basis, lri_aux_basis, aux_fit_basis) 94 CALL get_qs_kind(qs_kind, basis_set=ri_aux_basis, basis_type="RI_AUX") 105 IF (ASSOCIATED(ri_aux_basis)) THEN 107 CALL basis_out(ri_aux_basis, element_symbol, bname, iunit)
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H A D | mp2_optimize_ri_basis.F | 134 TYPE(gto_basis_set_type), POINTER :: ri_aux_basis local 428 CALL get_qs_kind(qs_kind=qs_kind_set(ikind), basis_set=ri_aux_basis, & 440 (ri_aux_basis%gcc(ipgf, ishell, iset), & 441 ishell=1, ri_aux_basis%nshell(iset))
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | basis_set_output.F | 64 ri_aux_basis, ri_hxc_basis, & local 92 NULLIFY (orb_basis, ri_aux_basis, lri_aux_basis, aux_fit_basis) 94 CALL get_qs_kind(qs_kind, basis_set=ri_aux_basis, basis_type="RI_AUX") 104 IF (ASSOCIATED(ri_aux_basis)) THEN 106 CALL basis_out(ri_aux_basis, element_symbol, bname, iunit)
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H A D | mp2_optimize_ri_basis.F | 134 TYPE(gto_basis_set_type), POINTER :: ri_aux_basis local 428 CALL get_qs_kind(qs_kind=qs_kind_set(ikind), basis_set=ri_aux_basis, & 440 (ri_aux_basis%gcc(ipgf, ishell, iset), & 441 ishell=1, ri_aux_basis%nshell(iset))
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | basis_set_container_types.F | 30 ri_aux_basis = 103, & variable 100 basis_type_nr = ri_aux_basis
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/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | basis_set_container_types.F | 30 ri_aux_basis = 103, & variable 98 basis_type_nr = ri_aux_basis
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