Searched refs:get_se_type (Results 1 – 14 of 14) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | semi_empirical_utils.F | 41 PUBLIC :: init_se_param, se_param_set_default, get_se_type, & 347 FUNCTION get_se_type(se_method) RESULT(se_type) function 361 END FUNCTION get_se_type
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H A D | semi_empirical_expns3_methods.F | 22 USE semi_empirical_utils, ONLY: get_se_type 69 itype = get_se_type(method_id)
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H A D | se_core_core.F | 53 get_se_type,& 165 itype = get_se_type(dft_control%qs_control%method_id)
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H A D | qmmm_se_forces.F | 48 USE semi_empirical_utils, ONLY: get_se_type,& 140 itype = get_se_type(se_kind_mm%typ)
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H A D | qmmm_se_energy.F | 63 USE semi_empirical_utils, ONLY: get_se_type,& 174 itype = get_se_type(se_kind_mm%typ)
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H A D | se_fock_matrix_coulomb.F | 90 get_se_type,& 221 itype = get_se_type(dft_control%qs_control%method_id) 580 itype = get_se_type(dft_control%qs_control%method_id) 954 itype = get_se_type(dft_control%qs_control%method_id) 1319 itype = get_se_type(dft_control%qs_control%method_id)
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H A D | se_core_matrix.F | 56 USE semi_empirical_utils, ONLY: get_se_type 191 itype = get_se_type(dft_control%qs_control%method_id)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | semi_empirical_utils.F | 41 PUBLIC :: init_se_param, se_param_set_default, get_se_type, & 347 FUNCTION get_se_type(se_method) RESULT(se_type) function 361 END FUNCTION get_se_type
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H A D | semi_empirical_expns3_methods.F | 22 USE semi_empirical_utils, ONLY: get_se_type 69 itype = get_se_type(method_id)
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H A D | se_core_core.F | 53 get_se_type,& 165 itype = get_se_type(dft_control%qs_control%method_id)
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H A D | qmmm_se_forces.F | 48 USE semi_empirical_utils, ONLY: get_se_type,& 140 itype = get_se_type(se_kind_mm%typ)
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H A D | qmmm_se_energy.F | 63 USE semi_empirical_utils, ONLY: get_se_type,& 174 itype = get_se_type(se_kind_mm%typ)
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H A D | se_fock_matrix_coulomb.F | 90 get_se_type,& 221 itype = get_se_type(dft_control%qs_control%method_id) 580 itype = get_se_type(dft_control%qs_control%method_id) 954 itype = get_se_type(dft_control%qs_control%method_id) 1319 itype = get_se_type(dft_control%qs_control%method_id)
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H A D | se_core_matrix.F | 56 USE semi_empirical_utils, ONLY: get_se_type 191 itype = get_se_type(dft_control%qs_control%method_id)
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