Searched defs:optimize_loc_berry (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_loc_methods.F | 144 SUBROUTINE optimize_loc_berry(method, qs_loc_env, vectors, op_sm_set, & subroutine
158 CHARACTER(len=*), PARAMETER :: routineN = 'optimize_loc_berry', & argument
159 routineP = moduleN//':'//routineN
161 … INTEGER :: handle, max_iter, nao, nmoloc, out_each, &
162 output_unit, sweeps
163 LOGICAL :: converged, crazy_use_diag, &
164 do_jacobi_refinement
165 REAL(dp) :: crazy_scale, eps_localization, &
166 max_crazy_angle, start_time, &
167 target_time
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_loc_methods.F | 144 SUBROUTINE optimize_loc_berry(method, qs_loc_env, vectors, op_sm_set, & subroutine
158 CHARACTER(len=*), PARAMETER :: routineN = 'optimize_loc_berry', & argument
159 routineP = moduleN//':'//routineN
161 … INTEGER :: handle, max_iter, nao, nmoloc, out_each, &
162 output_unit, sweeps
163 LOGICAL :: converged, crazy_use_diag, &
164 do_jacobi_refinement
165 REAL(dp) :: crazy_scale, eps_localization, &
166 max_crazy_angle, start_time, &
167 target_time
[all …]
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