Searched defs:topology_generate_impr (Results 1 – 2 of 2) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_generate_util.F | 1867 SUBROUTINE topology_generate_impr(topology, subsys_section) subroutine 1871 CHARACTER(len=*), PARAMETER :: routineN = 'topology_generate_impr', & argument 1872 routineP = moduleN//':'//routineN 1874 CHARACTER(LEN=2) :: atm_symbol 1875 INTEGER :: handle, i, ind, iw, j, natom, nbond, & 1876 nimpr, nsize, output_unit 1877 LOGICAL :: accept_impr 1878 TYPE(array1_list_type), DIMENSION(:), POINTER :: bond_list 1879 TYPE(atom_info_type), POINTER :: atom_info 1880 TYPE(connectivity_info_type), POINTER :: conn_info [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_generate_util.F | 1867 SUBROUTINE topology_generate_impr(topology, subsys_section) subroutine 1871 CHARACTER(len=*), PARAMETER :: routineN = 'topology_generate_impr', & argument 1872 routineP = moduleN//':'//routineN 1874 CHARACTER(LEN=2) :: atm_symbol 1875 INTEGER :: handle, i, ind, iw, j, natom, nbond, & 1876 nimpr, nsize, output_unit 1877 LOGICAL :: accept_impr 1878 TYPE(array1_list_type), DIMENSION(:), POINTER :: bond_list 1879 TYPE(atom_info_type), POINTER :: atom_info 1880 TYPE(connectivity_info_type), POINTER :: conn_info [all …]
|