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Searched defs:topology_generate_impr (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_generate_util.F1867 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 Dtopology_generate_util.F1867 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 …]