/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_scf_post_se.F | 63 USE semi_empirical_types, ONLY: get_se_param,& 277 CALL get_se_param(se_kind, zeff=zeff, natorb=natorb) 356 CALL get_se_param(se_kind, natorb=natorb) 510 CALL get_se_param(se_kind, zeff=zeff, natorb=natorb) 537 CALL get_se_param(se_kind, name=aname) 555 CALL get_se_param(se_kind, name=aname)
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H A D | qmmm_se_forces.F | 41 USE semi_empirical_types, ONLY: get_se_param,& 151 CALL get_se_param(se_kind_a, & 215 CALL get_se_param(se_kind_a, &
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H A D | se_core_core.F | 46 USE semi_empirical_types, ONLY: get_se_param,& 171 CALL get_se_param(se_kind_a, defined=defined)
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H A D | se_fock_matrix_exchange.F | 44 USE semi_empirical_types, ONLY: get_se_param,& 158 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
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H A D | qmmm_se_energy.F | 56 USE semi_empirical_types, ONLY: get_se_param,& 180 CALL get_se_param(se_kind_a, &
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H A D | semi_empirical_types.F | 171 get_se_param, & 366 SUBROUTINE get_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & subroutine 426 END SUBROUTINE get_se_param 704 CALL get_se_param(sep, name=name, typ=typ, defined=defined, &
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H A D | se_fock_matrix_coulomb.F | 83 USE semi_empirical_types, ONLY: get_se_param,& 226 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 619 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 740 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 960 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 1327 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
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H A D | se_core_matrix.F | 54 USE semi_empirical_types, ONLY: get_se_param,& 208 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a, &
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H A D | semi_empirical_par_utils.F | 24 USE semi_empirical_types, ONLY: get_se_param,& 1040 CALL get_se_param(sep, defined=defined, natorb=natorb, &
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H A D | qs_kind_types.F | 93 USE semi_empirical_types, ONLY: get_se_param,& 2518 CALL get_se_param(se_parameter, defined=defined)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_scf_post_se.F | 63 USE semi_empirical_types, ONLY: get_se_param,& 277 CALL get_se_param(se_kind, zeff=zeff, natorb=natorb) 356 CALL get_se_param(se_kind, natorb=natorb) 510 CALL get_se_param(se_kind, zeff=zeff, natorb=natorb) 537 CALL get_se_param(se_kind, name=aname) 555 CALL get_se_param(se_kind, name=aname)
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H A D | qmmm_se_forces.F | 41 USE semi_empirical_types, ONLY: get_se_param,& 151 CALL get_se_param(se_kind_a, & 215 CALL get_se_param(se_kind_a, &
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H A D | se_core_core.F | 46 USE semi_empirical_types, ONLY: get_se_param,& 171 CALL get_se_param(se_kind_a, defined=defined)
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H A D | se_fock_matrix_exchange.F | 44 USE semi_empirical_types, ONLY: get_se_param,& 158 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
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H A D | qmmm_se_energy.F | 56 USE semi_empirical_types, ONLY: get_se_param,& 180 CALL get_se_param(se_kind_a, &
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H A D | semi_empirical_types.F | 171 get_se_param, & 366 SUBROUTINE get_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & subroutine 426 END SUBROUTINE get_se_param 704 CALL get_se_param(sep, name=name, typ=typ, defined=defined, &
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H A D | se_fock_matrix_coulomb.F | 83 USE semi_empirical_types, ONLY: get_se_param,& 226 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 619 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 740 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 960 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a) 1327 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
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H A D | se_core_matrix.F | 54 USE semi_empirical_types, ONLY: get_se_param,& 208 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a, &
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H A D | semi_empirical_par_utils.F | 24 USE semi_empirical_types, ONLY: get_se_param,& 1040 CALL get_se_param(sep, defined=defined, natorb=natorb, &
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H A D | qs_kind_types.F | 92 USE semi_empirical_types, ONLY: get_se_param,& 2531 CALL get_se_param(se_parameter, defined=defined)
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