Searched defs:optimize_shell_core (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | shell_opt.F | 71 CHARACTER(len=*), PARAMETER :: routineN = 'optimize_shell_core', & argument
72 routineP = moduleN//':'//routineN
74 INTEGER :: handle, i, iat, nshell
75 LOGICAL :: do_update, explicit, my_check, optimize
76 REAL(dp), DIMENSION(:), POINTER :: dvec_sc, dvec_sc_0
78 TYPE(cp_logger_type), POINTER :: logger
79 TYPE(cp_para_env_type), POINTER :: para_env
80 TYPE(cp_subsys_type), POINTER :: subsys
82 TYPE(gopt_f_type), POINTER :: gopt_env
83 TYPE(gopt_param_type), POINTER :: gopt_param
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | shell_opt.F | 71 CHARACTER(len=*), PARAMETER :: routineN = 'optimize_shell_core', & argument
72 routineP = moduleN//':'//routineN
74 INTEGER :: handle, i, iat, nshell
75 LOGICAL :: do_update, explicit, my_check, optimize
76 REAL(dp), DIMENSION(:), POINTER :: dvec_sc, dvec_sc_0
78 TYPE(cp_logger_type), POINTER :: logger
79 TYPE(cp_para_env_type), POINTER :: para_env
80 TYPE(cp_subsys_type), POINTER :: subsys
82 TYPE(gopt_f_type), POINTER :: gopt_env
83 TYPE(gopt_param_type), POINTER :: gopt_param
[all …]
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