Searched defs:ls_scf_qs_atomic_guess (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_scf_qs.F | 484 SUBROUTINE ls_scf_qs_atomic_guess(qs_env, energy) subroutine
488 CHARACTER(len=*), PARAMETER :: routineN = 'ls_scf_qs_atomic_guess', & argument
489 routineP = moduleN//':'//routineN
491 INTEGER :: handle, nspin, unit_nr
495 TYPE(cp_logger_type), POINTER :: logger
496 TYPE(cp_para_env_type), POINTER :: para_env
497 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s, rho_ao
498 TYPE(dft_control_type), POINTER :: dft_control
500 TYPE(qs_energy_type), POINTER :: qs_energy
502 TYPE(qs_ks_env_type), POINTER :: ks_env
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_scf_qs.F | 484 SUBROUTINE ls_scf_qs_atomic_guess(qs_env, energy) subroutine
488 CHARACTER(len=*), PARAMETER :: routineN = 'ls_scf_qs_atomic_guess', & argument
489 routineP = moduleN//':'//routineN
491 INTEGER :: handle, nspin, unit_nr
495 TYPE(cp_logger_type), POINTER :: logger
496 TYPE(cp_para_env_type), POINTER :: para_env
497 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s, rho_ao
498 TYPE(dft_control_type), POINTER :: dft_control
500 TYPE(qs_energy_type), POINTER :: qs_energy
502 TYPE(qs_ks_env_type), POINTER :: ks_env
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