Searched refs:ncob2 (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | ai_overlap_aabb.F | 105 ncoa1, ncoa2, ncob1, ncob2 local
118 ncob2 = 0
142 ncob2 = 0
147 ncob2 = ncob2 + ncoset(lb_max_set2)
164 saabb(ncoa1 + ia, ncoa2 + ja, ncob1 + ib, ncob2 + jb) = 0._dp
168 saabb(ncoa2 + ja, ncoa1 + ia, ncob1 + ib, ncob2 + jb) = 0._dp
169 saabb(ncoa1 + ia, ncoa2 + ja, ncob2 + jb, ncob1 + ib) = 0._dp
170 saabb(ncoa2 + ja, ncoa1 + ia, ncob2 + jb, ncob1 + ib) = 0._dp
176 ncob2 = ncob2 + ncoset(lb_max_set2)
579 … saabb(ncoa1 + ia, ncoa2 + ja, ncob1 + ib, ncob2 + jb) = s(i, j)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | ai_overlap_aabb.F | 105 ncoa1, ncoa2, ncob1, ncob2 local
118 ncob2 = 0
142 ncob2 = 0
147 ncob2 = ncob2 + ncoset(lb_max_set2)
164 saabb(ncoa1 + ia, ncoa2 + ja, ncob1 + ib, ncob2 + jb) = 0._dp
168 saabb(ncoa2 + ja, ncoa1 + ia, ncob1 + ib, ncob2 + jb) = 0._dp
169 saabb(ncoa1 + ia, ncoa2 + ja, ncob2 + jb, ncob1 + ib) = 0._dp
170 saabb(ncoa2 + ja, ncoa1 + ia, ncob2 + jb, ncob1 + ib) = 0._dp
176 ncob2 = ncob2 + ncoset(lb_max_set2)
579 … saabb(ncoa1 + ia, ncoa2 + ja, ncob1 + ib, ncob2 + jb) = s(i, j)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | generic_os_integrals.F | 837 m4, maxco, maxcoa, maxcob, maxl, maxla, maxlb, ncoa1, ncoa2, ncob1, ncob2, nseta, nsetb, & local
911 ncob2 = npgfb(lset)*ncoset(lb_max(lset))
939 … ncob1, ncob2, nsgfa(iset), nsgfa(jset), nsgfb(kset), nsgfb(lset))
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | generic_os_integrals.F | 837 m4, maxco, maxcoa, maxcob, maxl, maxla, maxlb, ncoa1, ncoa2, ncob1, ncob2, nseta, nsetb, & local
911 ncob2 = npgfb(lset)*ncoset(lb_max(lset))
939 … ncob1, ncob2, nsgfa(iset), nsgfa(jset), nsgfb(kset), nsgfb(lset))
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