Searched refs:dvab_os (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | shg_integrals_test.F | 363 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dvab_os, dvab_shg local
377 ALLOCATE (vab_os(nfa, nfb), dvab_os(nfa, nfb, 3))
493 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
613 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dvab_os, dvab_shg local
627 ALLOCATE (vab_os(nfa, nfb), dvab_os(nfa, nfb, 3))
651 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
811 SUBROUTINE calculate_deviation_ab(vab_shg, vab_os, dvab_shg, dvab_os, dmax, ddmax) argument
814 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: dvab_shg, dvab_os local
838 diff = ABS(dvab_shg(i, j, k) - dvab_os(i, j, k))
858 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: dvab_shg, dvab_os local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | shg_integrals_test.F | 363 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dvab_os, dvab_shg local
377 ALLOCATE (vab_os(nfa, nfb), dvab_os(nfa, nfb, 3))
493 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
613 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dvab_os, dvab_shg local
627 ALLOCATE (vab_os(nfa, nfb), dvab_os(nfa, nfb, 3))
651 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
811 SUBROUTINE calculate_deviation_ab(vab_shg, vab_os, dvab_shg, dvab_os, dmax, ddmax) argument
814 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: dvab_shg, dvab_os local
838 diff = ABS(dvab_shg(i, j, k) - dvab_os(i, j, k))
858 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: dvab_shg, dvab_os local
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