Searched defs:qs_scf_new_mos (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_loop_utils.F | 123 SUBROUTINE qs_scf_new_mos(qs_env, scf_env, scf_control, scf_section, diis_step, & subroutine
131 CHARACTER(LEN=*), PARAMETER :: routineN = 'qs_scf_new_mos', routineP = moduleN//':'//routineN argument
133 INTEGER :: handle, ispin
134 LOGICAL :: has_unit_metric, skip_diag_sub
135 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s
136 TYPE(dft_control_type), POINTER :: dft_control
137 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
138 TYPE(qs_energy_type), POINTER :: energy
139 TYPE(qs_ks_env_type), POINTER :: ks_env
140 TYPE(qs_rho_type), POINTER :: rho
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_loop_utils.F | 123 SUBROUTINE qs_scf_new_mos(qs_env, scf_env, scf_control, scf_section, diis_step, & subroutine
131 CHARACTER(LEN=*), PARAMETER :: routineN = 'qs_scf_new_mos', routineP = moduleN//':'//routineN argument
133 INTEGER :: handle, ispin
134 LOGICAL :: has_unit_metric, skip_diag_sub
135 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s
136 TYPE(dft_control_type), POINTER :: dft_control
137 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
138 TYPE(qs_energy_type), POINTER :: energy
139 TYPE(qs_ks_env_type), POINTER :: ks_env
140 TYPE(qs_rho_type), POINTER :: rho
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