Searched defs:almo_scf_init (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | almo_scf.F | 167 SUBROUTINE almo_scf_init(qs_env, almo_scf_env, calc_forces) subroutine
172 CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_init', routineP = moduleN//':'//routineN argument
174 INTEGER :: ao, handle, i, iao, idomain, ispin, &
175 multip, naos, natoms, ndomains, nelec, &
176 nelec_a, nelec_b, nmols, nspins, &
177 unit_nr
178 TYPE(cp_logger_type), POINTER :: logger
179 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s
180 TYPE(dft_control_type), POINTER :: dft_control
181 TYPE(molecule_type), DIMENSION(:), POINTER :: molecule_set
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf.F | 176 SUBROUTINE almo_scf_init(qs_env, almo_scf_env, calc_forces) subroutine
181 CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_init', routineP = moduleN//':'//routineN argument
183 INTEGER :: ao, handle, i, iao, idomain, ispin, &
184 multip, naos, natoms, ndomains, nelec, &
185 nelec_a, nelec_b, nmols, nspins, &
186 unit_nr
187 TYPE(cp_logger_type), POINTER :: logger
188 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s
189 TYPE(dft_control_type), POINTER :: dft_control
190 TYPE(molecule_type), DIMENSION(:), POINTER :: molecule_set
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