Searched defs:atom_relint_setup (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_operators.F | 804 SUBROUTINE atom_relint_setup(integrals, basis, reltyp, zcore, alpha) subroutine
811 CHARACTER(len=*), PARAMETER :: routineN = 'atom_relint_setup', & argument
812 routineP = moduleN//':'//routineN
814 INTEGER :: dkhorder, handle, i, k1, k2, l, m, n, nl local
815 REAL(dp) :: ascal
816 REAL(dp), ALLOCATABLE, DIMENSION(:) :: cpot
817 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: modpot
818 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: ener, sps
819 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hmat, pvp, sp, tp, vp, wfn
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_operators.F | 805 SUBROUTINE atom_relint_setup(integrals, basis, reltyp, zcore, alpha) subroutine
812 CHARACTER(len=*), PARAMETER :: routineN = 'atom_relint_setup', & argument
813 routineP = moduleN//':'//routineN
815 INTEGER :: dkhorder, handle, i, k1, k2, l, m, n, nl local
816 REAL(dp) :: ascal
817 REAL(dp), ALLOCATABLE, DIMENSION(:) :: cpot
818 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: modpot
819 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: ener, sps
820 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hmat, pvp, sp, tp, vp, wfn
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