| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | basis_set_container_types.F | 35 mao_basis = 108, & variable
118 basis_type_nr = mao_basis
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| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | basis_set_container_types.F | 35 mao_basis = 108, & variable
112 basis_type_nr = mao_basis
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_interactions.F | 98 harris_basis, lri_basis, mao_basis, orb_basis_set, ri_aux_basis_set, ri_basis, & local
106 lri_basis, mao_basis, paw_proj_set, harris_basis, ri_xas_basis)
121 CALL get_qs_kind(qs_kind_set(ikind), basis_set=mao_basis, basis_type="MAO")
304 IF (ASSOCIATED(mao_basis)) THEN
305 CALL init_interaction_radii_orb_basis(mao_basis, qs_control%eps_pgf_orb)
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| H A D | mao_methods.F | 498 SUBROUTINE mao_reference_basis(qs_env, mao_basis, mao_basis_set_list, orb_basis_set_list, & argument
502 INTEGER, INTENT(IN) :: mao_basis local
542 SELECT CASE (mao_basis)
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| H A D | mao_wfn_analysis.F | 96 mao_basis, max_iter, me, na, nab, nabc, natom, nb, nc, nimages, nspin, ssize local
149 CALL section_vals_val_get(input_section, "REFERENCE_BASIS", i_val=mao_basis)
172 CALL mao_reference_basis(qs_env, mao_basis, mao_basis_set_list, orb_basis_set_list, &
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| H A D | minbas_methods.F | 39 USE mao_basis, ONLY: mao_generate_basis
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| H A D | energy_corrections.F | 90 USE mao_basis, ONLY: mao_generate_basis
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_interactions.F | 101 harris_basis, lri_basis, mao_basis, orb_basis_set, ri_aux_basis_set, ri_basis, & local
109 lri_basis, mao_basis, paw_proj_set, harris_basis, ri_xas_basis)
126 CALL get_qs_kind(qs_kind_set(ikind), basis_set=mao_basis, basis_type="MAO")
305 IF (ASSOCIATED(mao_basis)) THEN
306 CALL init_interaction_radii_orb_basis(mao_basis, qs_control%eps_pgf_orb)
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| H A D | mao_methods.F | 498 SUBROUTINE mao_reference_basis(qs_env, mao_basis, mao_basis_set_list, orb_basis_set_list, & argument
502 INTEGER, INTENT(IN) :: mao_basis local
542 SELECT CASE (mao_basis)
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| H A D | mao_wfn_analysis.F | 96 mao_basis, max_iter, me, na, nab, nabc, natom, nb, nc, nimages, nspin, ssize local
149 CALL section_vals_val_get(input_section, "REFERENCE_BASIS", i_val=mao_basis)
172 CALL mao_reference_basis(qs_env, mao_basis, mao_basis_set_list, orb_basis_set_list, &
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| H A D | minbas_methods.F | 39 USE mao_basis, ONLY: mao_generate_basis
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| H A D | kg_energy_corrections.F | 59 USE mao_basis, ONLY: mao_generate_basis
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| H A D | mp2_gpw.F | 83 USE mao_basis, ONLY: mao_generate_basis
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/prettify/fprettify/fortran_tests/test_results/ |
| H A D | expected_results | 1258 cp2k/src/mao_basis.F : add312e624049547afa9912515356a3fb9d4e9854307d96f89f738202ad914d9
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