Searched defs:tddfpt_compute_Aop_evects (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_tddfpt2_eigensolver.F | 304 SUBROUTINE tddfpt_compute_Aop_evects(Aop_evects, evects, S_evects, gs_mos, tddfpt_control, & subroutine
318 CHARACTER(LEN=*), PARAMETER :: routineN = 'tddfpt_compute_Aop_evects', & argument
319 routineP = moduleN//':'//routineN
321 INTEGER :: handle, ispin, ivect, nspins, nvects
322 INTEGER, DIMENSION(maxspins) :: nmo_occ
323 LOGICAL :: do_admm, is_rks_triplets, is_stda
324 TYPE(cp_para_env_type), POINTER :: para_env
325 TYPE(full_kernel_env_type), POINTER :: full_kernel_env, kernel_env_admm_aux
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_tddfpt2_methods.F | 2216 SUBROUTINE tddfpt_compute_Aop_evects(Aop_evects, evects, S_evects, gs_mos, is_rks_triplets, & subroutine
2229 CHARACTER(LEN=*), PARAMETER :: routineN = 'tddfpt_compute_Aop_evects', & argument
2230 routineP = moduleN//':'//routineN
2232 … INTEGER :: handle, ispin, ivect, nao, nspins, nvects
2233 INTEGER, DIMENSION(maxspins) :: nmo_occ
2234 LOGICAL :: do_admm
2235 TYPE(cp_para_env_type), POINTER :: para_env
2236 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_ia_ao, rho_ia_ao_aux_fit
2237 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_ia_g, rho_ia_g_aux_fit, rho_ia_r, &
2238 rho_ia_r_aux_fit, tau_ia_r, &
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