Searched defs:qmmm_gaussian_initialize (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gaussian_init.F | 82 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_gaussian_initialize', & argument
83 routineP = moduleN//':'//routineN
85 INTEGER :: i, ilevel, j, Ndim, num_geep_gauss, &
86 output_unit
87 LOGICAL :: Found, use_geep_lib
88 REAL(KIND=dp) :: alpha, mymaxradius, Prefactor
89 REAL(KIND=dp), DIMENSION(:), POINTER :: c_radius, radius
90 TYPE(cp_logger_type), POINTER :: logger
91 TYPE(gridlevel_info_type), POINTER :: gridlevel_info
92 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pools
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gaussian_init.F | 82 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_gaussian_initialize', & argument
83 routineP = moduleN//':'//routineN
85 INTEGER :: i, ilevel, j, Ndim, num_geep_gauss, &
86 output_unit
87 LOGICAL :: Found, use_geep_lib
88 REAL(KIND=dp) :: alpha, mymaxradius, Prefactor
89 REAL(KIND=dp), DIMENSION(:), POINTER :: c_radius, radius
90 TYPE(cp_logger_type), POINTER :: logger
91 TYPE(gridlevel_info_type), POINTER :: gridlevel_info
92 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pools
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