Searched defs:write_adjacency_matrix (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_post_gpw.F | 3186 SUBROUTINE write_adjacency_matrix(qs_env, input) subroutine
3190 CHARACTER(len=*), PARAMETER :: routineN = 'write_adjacency_matrix', & argument
3191 routineP = moduleN//':'//routineN
3193 … INTEGER :: adjm_size, colind, handle, iatom, ikind, &
3194 ind, jatom, jkind, k, natom, nkind, &
3195 output_unit, rowind, unit_nr
3197 LOGICAL :: do_adjm_write, do_symmetric
3198 TYPE(cp_logger_type), POINTER :: logger
3200 TYPE(gto_basis_set_p_type), DIMENSION(:), POINTER :: basis_set_list_a, basis_set_list_b
3201 TYPE(gto_basis_set_type), POINTER :: basis_set_a, basis_set_b
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_post_gpw.F | 3088 SUBROUTINE write_adjacency_matrix(qs_env, input) subroutine
3092 CHARACTER(len=*), PARAMETER :: routineN = 'write_adjacency_matrix', & argument
3093 routineP = moduleN//':'//routineN
3095 … INTEGER :: adjm_size, colind, handle, iatom, ikind, &
3096 ind, jatom, jkind, k, natom, nkind, &
3097 output_unit, rowind, unit_nr
3099 LOGICAL :: do_adjm_write, do_symmetric
3100 TYPE(cp_logger_type), POINTER :: logger
3102 TYPE(gto_basis_set_p_type), DIMENSION(:), POINTER :: basis_set_list_a, basis_set_list_b
3103 TYPE(gto_basis_set_type), POINTER :: basis_set_a, basis_set_b
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