Searched defs:outer_loop_gradient (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_outer_scf.F | 100 SUBROUTINE outer_loop_gradient(qs_env, scf_env) subroutine
104 CHARACTER(LEN=*), PARAMETER :: routineN = 'outer_loop_gradient', & argument
105 routineP = moduleN//':'//routineN
107 INTEGER :: handle, ihistory, ivar, n
108 LOGICAL :: is_constraint
109 TYPE(cdft_control_type), POINTER :: cdft_control
110 TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control
111 TYPE(dft_control_type), POINTER :: dft_control
112 TYPE(qs_energy_type), POINTER :: energy
113 TYPE(s2_restraint_type), POINTER :: s2_restraint_control
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_outer_scf.F | 100 SUBROUTINE outer_loop_gradient(qs_env, scf_env) subroutine
104 CHARACTER(LEN=*), PARAMETER :: routineN = 'outer_loop_gradient', & argument
105 routineP = moduleN//':'//routineN
107 INTEGER :: handle, ihistory, ivar, n
108 LOGICAL :: is_constraint
109 TYPE(cdft_control_type), POINTER :: cdft_control
110 TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control
111 TYPE(dft_control_type), POINTER :: dft_control
112 TYPE(qs_energy_type), POINTER :: energy
113 TYPE(s2_restraint_type), POINTER :: s2_restraint_control
[all …]
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