Searched defs:xas_initialize_rho (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_restart.F | 369 SUBROUTINE xas_initialize_rho(qs_env, scf_env, scf_control) subroutine
375 CHARACTER(LEN=*), PARAMETER :: routineN = 'xas_initialize_rho', & argument
376 routineP = moduleN//':'//routineN
378 INTEGER :: handle, ispin, my_spin, nelectron
379 TYPE(cp_para_env_type), POINTER :: para_env
380 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_ao
381 TYPE(dft_control_type), POINTER :: dft_control
382 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
383 TYPE(qs_rho_type), POINTER :: rho
384 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_restart.F | 369 SUBROUTINE xas_initialize_rho(qs_env, scf_env, scf_control) subroutine
375 CHARACTER(LEN=*), PARAMETER :: routineN = 'xas_initialize_rho', & argument
376 routineP = moduleN//':'//routineN
378 INTEGER :: handle, ispin, my_spin, nelectron
379 TYPE(cp_para_env_type), POINTER :: para_env
380 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_ao
381 TYPE(dft_control_type), POINTER :: dft_control
382 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
383 TYPE(qs_rho_type), POINTER :: rho
384 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom
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