Searched refs:sab_shg (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | shg_integrals_test.F | 532 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: sab_os, sab_shg local
548 ALLOCATE (sab_shg(nfa, nfb), dsab_shg(nfa, nfb, 3))
553 CALL int_overlap_ab_shg(sab_shg, dsab_shg, rab(:, iab), oba, obb, &
557 CALL calculate_deviation_ab(sab_shg, sab_os, dsab_shg, dsab_os, dtemp, ddtemp)
574 DEALLOCATE (sab_shg, sab_os, dsab_shg, dsab_os)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | shg_integrals_test.F | 532 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: sab_os, sab_shg local
548 ALLOCATE (sab_shg(nfa, nfb), dsab_shg(nfa, nfb, 3))
553 CALL int_overlap_ab_shg(sab_shg, dsab_shg, rab(:, iab), oba, obb, &
557 CALL calculate_deviation_ab(sab_shg, sab_os, dsab_shg, dsab_os, dtemp, ddtemp)
574 DEALLOCATE (sab_shg, sab_os, dsab_shg, dsab_os)
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