Searched defs:admm_mo_calc_rho_aux (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | admm_methods.F | 136 SUBROUTINE admm_mo_calc_rho_aux(qs_env) subroutine
139 CHARACTER(len=*), PARAMETER :: routineN = 'admm_mo_calc_rho_aux', & argument
140 routineP = moduleN//':'//routineN
143 INTEGER :: handle, ispin
144 LOGICAL :: gapw, s_mstruct_changed
148 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, matrix_s_aux_fit, &
149 matrix_s_aux_fit_vs_orb, rho_ao, &
152 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_aux_fit
155 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g_aux, rho_r_aux
156 TYPE(qs_ks_env_type), POINTER :: ks_env
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | admm_methods.F | 100 SUBROUTINE admm_mo_calc_rho_aux(qs_env) subroutine
103 CHARACTER(len=*), PARAMETER :: routineN = 'admm_mo_calc_rho_aux', & argument
104 routineP = moduleN//':'//routineN
106 INTEGER :: handle, ispin
109 TYPE(admm_type), POINTER :: admm_env
111 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, matrix_s_aux_fit, &
112 matrix_s_aux_fit_vs_orb, rho_ao, &
115 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_aux_fit
116 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g_aux, rho_r_aux
117 TYPE(qs_ks_env_type), POINTER :: ks_env
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