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Searched refs:get_se_param (Results 1 – 20 of 20) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_scf_post_se.F63 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)
H A Dqmmm_se_forces.F41 USE semi_empirical_types, ONLY: get_se_param,&
151 CALL get_se_param(se_kind_a, &
215 CALL get_se_param(se_kind_a, &
H A Dse_core_core.F46 USE semi_empirical_types, ONLY: get_se_param,&
171 CALL get_se_param(se_kind_a, defined=defined)
H A Dse_fock_matrix_exchange.F44 USE semi_empirical_types, ONLY: get_se_param,&
158 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
H A Dqmmm_se_energy.F56 USE semi_empirical_types, ONLY: get_se_param,&
180 CALL get_se_param(se_kind_a, &
H A Dsemi_empirical_types.F171 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, &
H A Dse_fock_matrix_coulomb.F83 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)
H A Dse_core_matrix.F54 USE semi_empirical_types, ONLY: get_se_param,&
208 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a, &
H A Dsemi_empirical_par_utils.F24 USE semi_empirical_types, ONLY: get_se_param,&
1040 CALL get_se_param(sep, defined=defined, natorb=natorb, &
H A Dqs_kind_types.F93 USE semi_empirical_types, ONLY: get_se_param,&
2518 CALL get_se_param(se_parameter, defined=defined)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_scf_post_se.F63 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)
H A Dqmmm_se_forces.F41 USE semi_empirical_types, ONLY: get_se_param,&
151 CALL get_se_param(se_kind_a, &
215 CALL get_se_param(se_kind_a, &
H A Dse_core_core.F46 USE semi_empirical_types, ONLY: get_se_param,&
171 CALL get_se_param(se_kind_a, defined=defined)
H A Dse_fock_matrix_exchange.F44 USE semi_empirical_types, ONLY: get_se_param,&
158 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a)
H A Dqmmm_se_energy.F56 USE semi_empirical_types, ONLY: get_se_param,&
180 CALL get_se_param(se_kind_a, &
H A Dsemi_empirical_types.F171 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, &
H A Dse_fock_matrix_coulomb.F83 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)
H A Dse_core_matrix.F54 USE semi_empirical_types, ONLY: get_se_param,&
208 CALL get_se_param(se_kind_a, defined=defined, natorb=natorb_a, &
H A Dsemi_empirical_par_utils.F24 USE semi_empirical_types, ONLY: get_se_param,&
1040 CALL get_se_param(sep, defined=defined, natorb=natorb, &
H A Dqs_kind_types.F92 USE semi_empirical_types, ONLY: get_se_param,&
2531 CALL get_se_param(se_parameter, defined=defined)