Searched defs:atom_completeness (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_utils.F | 2428 SUBROUTINE atom_completeness(basis, zv, iw) subroutine
2430 INTEGER, INTENT(IN) :: zv, iw
2432 INTEGER :: i, j, l, ll, m, n, nbas, nl, nr
2433 INTEGER, DIMENSION(0:lmat) :: nelem, nlmax, nlmin
2434 INTEGER, DIMENSION(lmat+1, 7) :: ne
2435 REAL(KIND=dp) :: al, c1, c2, pf
2436 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: sfun
2437 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: bmat
2438 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: omat
2440 REAL(KIND=dp), DIMENSION(0:lmat, 10) :: snl
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_utils.F | 2428 SUBROUTINE atom_completeness(basis, zv, iw) subroutine
2430 INTEGER, INTENT(IN) :: zv, iw
2432 INTEGER :: i, j, l, ll, m, n, nbas, nl, nr
2433 INTEGER, DIMENSION(0:lmat) :: nelem, nlmax, nlmin
2434 INTEGER, DIMENSION(lmat+1, 7) :: ne
2435 REAL(KIND=dp) :: al, c1, c2, pf
2436 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: sfun
2437 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: bmat
2438 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: omat
2440 REAL(KIND=dp), DIMENSION(0:lmat, 10) :: snl
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