Searched refs:vab_shg (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | shg_integrals_test.F | 376 ALLOCATE (vab_shg(nfa, nfb), dvab_shg(nfa, nfb, 3))
493 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
626 ALLOCATE (vab_shg(nfa, nfb), dvab_shg(nfa, nfb, 3))
651 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
827 DO j = 1, SIZE(vab_shg, 2)
828 DO i = 1, SIZE(vab_shg, 1)
829 diff = ABS(vab_shg(i, j) - vab_os(i, j))
871 DO k = 1, SIZE(vab_shg, 3)
872 DO j = 1, SIZE(vab_shg, 2)
873 DO i = 1, SIZE(vab_shg, 1)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | shg_integrals_test.F | 376 ALLOCATE (vab_shg(nfa, nfb), dvab_shg(nfa, nfb, 3))
493 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
626 ALLOCATE (vab_shg(nfa, nfb), dvab_shg(nfa, nfb, 3))
651 DEALLOCATE (vab_shg, vab_os, dvab_shg, dvab_os)
827 DO j = 1, SIZE(vab_shg, 2)
828 DO i = 1, SIZE(vab_shg, 1)
829 diff = ABS(vab_shg(i, j) - vab_os(i, j))
871 DO k = 1, SIZE(vab_shg, 3)
872 DO j = 1, SIZE(vab_shg, 2)
873 DO i = 1, SIZE(vab_shg, 1)
[all …]
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