Searched defs:write_neighbor_distribution (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 1609 SUBROUTINE write_neighbor_distribution(ab, qs_kind_set, output_unit, para_env) subroutine
1616 CHARACTER(len=*), PARAMETER :: routineN = 'write_neighbor_distribution', & argument
1617 routineP = moduleN//':'//routineN
1618 LOGICAL, PARAMETER :: full_output = .FALSE.
1620 … INTEGER :: group, handle, ikind, inode, ipe, jkind, &
1621 mype, n, nkind, nnode, npe
1622 INTEGER(int_8) :: nblock_max, nblock_sum, nelement_max, &
1623 nelement_sum, tmp(2)
1624 INTEGER, ALLOCATABLE, DIMENSION(:) :: nblock, nelement, nnsgf
1625 TYPE(gto_basis_set_type), POINTER :: orb_basis_set
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_neighbor_lists.F | 1575 SUBROUTINE write_neighbor_distribution(ab, qs_kind_set, output_unit, para_env) subroutine
1582 CHARACTER(len=*), PARAMETER :: routineN = 'write_neighbor_distribution', & argument
1583 routineP = moduleN//':'//routineN
1584 LOGICAL, PARAMETER :: full_output = .FALSE.
1586 … INTEGER :: group, handle, ikind, inode, ipe, jkind, &
1587 mype, n, nkind, nnode, npe
1588 INTEGER(int_8) :: nblock_max, nblock_sum, nelement_max, &
1589 nelement_sum, tmp(2)
1590 INTEGER, ALLOCATABLE, DIMENSION(:) :: nblock, nelement, nnsgf
1591 TYPE(gto_basis_set_type), POINTER :: orb_basis_set
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