Searched defs:dbcsr_soc_package (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_utils.F | 1245 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
1679 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
2058 SUBROUTINE get_os_amew_op(amew_op, ao_op, gs_coeffs, dbcsr_soc_package, donor_state, & argument
2064 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
2294 SUBROUTINE get_rcs_amew_op(amew_op, ao_op, dbcsr_soc_package, donor_state, eps_filter, qs_env) argument
2298 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
2671 SUBROUTINE compute_soc_dipole_fosc(soc_evecs_cfm, dbcsr_soc_package, donor_state, xas_tdp_env, & argument
2675 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
2780 SUBROUTINE compute_soc_quadrupole_fosc(soc_evecs_cfm, dbcsr_soc_package, donor_state, & argument
2784 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_utils.F | 2262 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
2696 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
3075 SUBROUTINE get_os_amew_op(amew_op, ao_op, gs_coeffs, dbcsr_soc_package, donor_state, & argument
3081 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
3311 SUBROUTINE get_rcs_amew_op(amew_op, ao_op, dbcsr_soc_package, donor_state, eps_filter, qs_env) argument
3315 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
3688 SUBROUTINE compute_soc_dipole_fosc(soc_evecs_cfm, dbcsr_soc_package, donor_state, xas_tdp_env, & argument
3692 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
3797 SUBROUTINE compute_soc_quadrupole_fosc(soc_evecs_cfm, dbcsr_soc_package, donor_state, & argument
3801 TYPE(dbcsr_soc_package_type) :: dbcsr_soc_package local
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