Searched defs:fb_env_build_atomic_halos (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_fb_env_methods.F | 854 SUBROUTINE fb_env_build_atomic_halos(fb_env, qs_env, scf_section) subroutine
859 CHARACTER(len=*), PARAMETER :: routineN = 'fb_env_build_atomic_halos', & argument
860 routineP = moduleN//':'//routineN
862 INTEGER :: handle, iatom, ihalo, max_natoms_local, natoms_global, natoms_local, nelectrons, &
863 nhalo_atoms, nkinds_global, owner_id_in_halo
864 INTEGER, DIMENSION(:), POINTER :: halo_atoms, local_atoms
865 REAL(KIND=dp) :: cost
867 REAL(KIND=dp), DIMENSION(:), POINTER :: rcut
868 TYPE(cell_type), POINTER :: cell
869 TYPE(cp_para_env_type), POINTER :: para_env
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_fb_env_methods.F | 854 SUBROUTINE fb_env_build_atomic_halos(fb_env, qs_env, scf_section) subroutine
859 CHARACTER(len=*), PARAMETER :: routineN = 'fb_env_build_atomic_halos', & argument
860 routineP = moduleN//':'//routineN
862 INTEGER :: handle, iatom, ihalo, max_natoms_local, natoms_global, natoms_local, nelectrons, &
863 nhalo_atoms, nkinds_global, owner_id_in_halo
864 INTEGER, DIMENSION(:), POINTER :: halo_atoms, local_atoms
865 REAL(KIND=dp) :: cost
867 REAL(KIND=dp), DIMENSION(:), POINTER :: rcut
868 TYPE(cell_type), POINTER :: cell
869 TYPE(cp_para_env_type), POINTER :: para_env
[all …]
|