Searched refs:minbas_coeff (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | minbas_wfn_analysis.F | 489 SUBROUTINE post_minbas_cubes(qs_env, print_section, minbas_coeff, ispin) argument
492 TYPE(cp_fm_type), POINTER :: minbas_coeff local
519 CPASSERT(ASSOCIATED(minbas_coeff))
551 … CALL calculate_wavefunction(minbas_coeff, ivec, wf_r, wf_g, atomic_kind_set, qs_kind_set, &
569 … CALL calculate_wavefunction(minbas_coeff, ivec, wf_r, wf_g, atomic_kind_set, qs_kind_set, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | minbas_wfn_analysis.F | 489 SUBROUTINE post_minbas_cubes(qs_env, print_section, minbas_coeff, ispin) argument
492 TYPE(cp_fm_type), POINTER :: minbas_coeff local
519 CPASSERT(ASSOCIATED(minbas_coeff))
551 … CALL calculate_wavefunction(minbas_coeff, ivec, wf_r, wf_g, atomic_kind_set, qs_kind_set, &
569 … CALL calculate_wavefunction(minbas_coeff, ivec, wf_r, wf_g, atomic_kind_set, qs_kind_set, &
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