/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | ai_overlap.F | 1185 lb1_max, lb1_min, npgfb1, rpgfb1, zetb1, & argument 1238 CPASSERT((SIZE(sabb, 2) >= nb1*npgfb1)) 1243 CPASSERT((SIZE(dabb, 2) >= nb1*npgfb1)) 1252 DO j1pgf = 1, npgfb1 1578 lb1_max, lb1_min, npgfb1, rpgfb1, zetb1, & argument 1636 CPASSERT((SIZE(saabb, 3) >= nb1*npgfb1)) 1642 CPASSERT((SIZE(daabb, 3) >= nb1*npgfb1)) 1654 DO j1pgf = 1, npgfb1 1845 CPASSERT((SIZE(sabbb, 2) >= nb1*npgfb1)) 1851 CPASSERT((SIZE(dabbb, 2) >= nb1*npgfb1)) [all …]
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H A D | ai_overlap_aabb.F | 80 lb_max_set1, lb_min_set1, npgfb1, rpgfb1, zetb1, & argument 88 INTEGER, INTENT(IN) :: lb_max_set1, lb_min_set1, npgfb1 local 140 DO kpgf = 1, npgfb1
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/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | ai_overlap.F | 1185 lb1_max, lb1_min, npgfb1, rpgfb1, zetb1, & argument 1238 CPASSERT((SIZE(sabb, 2) >= nb1*npgfb1)) 1243 CPASSERT((SIZE(dabb, 2) >= nb1*npgfb1)) 1252 DO j1pgf = 1, npgfb1 1578 lb1_max, lb1_min, npgfb1, rpgfb1, zetb1, & argument 1636 CPASSERT((SIZE(saabb, 3) >= nb1*npgfb1)) 1642 CPASSERT((SIZE(daabb, 3) >= nb1*npgfb1)) 1654 DO j1pgf = 1, npgfb1 1845 CPASSERT((SIZE(sabbb, 2) >= nb1*npgfb1)) 1851 CPASSERT((SIZE(dabbb, 2) >= nb1*npgfb1)) [all …]
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H A D | ai_overlap_aabb.F | 80 lb_max_set1, lb_min_set1, npgfb1, rpgfb1, zetb1, & argument 88 INTEGER, INTENT(IN) :: lb_max_set1, lb_min_set1, npgfb1 local 140 DO kpgf = 1, npgfb1
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | debug_os_integrals.F | 449 … lb_max_set1=lb_max1, lb_min_set1=lb_min1, npgfb1=1, rpgfb1=rpgfb1, zetb1=xb_work1, & 524 lb_max1, lb_min1, npgfb1, zetb1, & argument 532 INTEGER, INTENT(IN) :: lb_max1, lb_min1, npgfb1 local 556 DO kpgf = 1, npgfb1
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | debug_os_integrals.F | 449 … lb_max_set1=lb_max1, lb_min_set1=lb_min1, npgfb1=1, rpgfb1=rpgfb1, zetb1=xb_work1, & 524 lb_max1, lb_min1, npgfb1, zetb1, & argument 532 INTEGER, INTENT(IN) :: lb_max1, lb_min1, npgfb1 local 556 DO kpgf = 1, npgfb1
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