Searched refs:ref_basis_set (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mao_basis.F | 69 SUBROUTINE mao_generate_basis(qs_env, mao_coef, ref_basis_set, pmat_external, smat_external, & argument
74 CHARACTER(len=*), OPTIONAL :: ref_basis_set local
165 IF (PRESENT(ref_basis_set)) THEN
166 mao_basis_set = ref_basis_set
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| H A D | energy_corrections.F | 322 … CALL mao_generate_basis(qs_env, ec_env%mao_coef, ref_basis_set="HARRIS", molecular=.TRUE., &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mao_basis.F | 69 SUBROUTINE mao_generate_basis(qs_env, mao_coef, ref_basis_set, pmat_external, smat_external, & argument
74 CHARACTER(len=*), OPTIONAL :: ref_basis_set local
165 IF (PRESENT(ref_basis_set)) THEN
166 mao_basis_set = ref_basis_set
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| H A D | kg_energy_corrections.F | 181 … CALL mao_generate_basis(qs_env, ec_env%mao_coef, ref_basis_set="HARRIS", molecular=.TRUE., &
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