| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | debug_os_integrals.F | 402 la_min1, la_min2, lb_max, lb_max1, lb_max2, lb_min, lb_min1, lb_min2, lds, ma, maxl, mb local
420 la_min1 = 0
447 …CALL overlap_aabb(la_max_set1=la_max1, la_min_set1=la_min1, npgfa1=1, rpgfa1=rpgfa1, zeta1=xa_work…
456 la_min = la_min1 + la_min2
475 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1)
522 SUBROUTINE overlap_aabb_test(la_max1, la_min1, npgfa1, zeta1, & argument
528 INTEGER, INTENT(IN) :: la_max1, la_min1, npgfa1 local
564 la_min = la_min1 + la_min2
583 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | debug_os_integrals.F | 402 la_min1, la_min2, lb_max, lb_max1, lb_max2, lb_min, lb_min1, lb_min2, lds, ma, maxl, mb local
420 la_min1 = 0
447 …CALL overlap_aabb(la_max_set1=la_max1, la_min_set1=la_min1, npgfa1=1, rpgfa1=rpgfa1, zeta1=xa_work…
456 la_min = la_min1 + la_min2
475 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1)
522 SUBROUTINE overlap_aabb_test(la_max1, la_min1, npgfa1, zeta1, & argument
528 INTEGER, INTENT(IN) :: la_max1, la_min1, npgfa1 local
564 la_min = la_min1 + la_min2
583 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | ai_verfc.F | 136 SUBROUTINE verfc(la_max1, npgfa, zeta, rpgfa, la_min1, lb_max1, npgfb, zetb, rpgfb, lb_min1, & argument
141 INTEGER, INTENT(IN) :: la_min1, lb_max1, npgfb local
191 la_min = MAX(0, la_min1 - 1)
197 la_min = la_min1
899 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
904 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
910 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local) !JT
1008 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | ai_verfc.F | 136 SUBROUTINE verfc(la_max1, npgfa, zeta, rpgfa, la_min1, lb_max1, npgfb, zetb, rpgfb, lb_min1, & argument
141 INTEGER, INTENT(IN) :: la_min1, lb_max1, npgfb local
191 la_min = MAX(0, la_min1 - 1)
197 la_min = la_min1
899 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
904 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
910 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local) !JT
1008 DO i = ncoset(la_min1 - 1) + 1, ncoset(la_max1 - maxder_local)
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