Searched refs:pbs3 (Results 1 – 3 of 3) sorted by relevance
| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/ |
| H A D | comp_eri.cc | 83 GaussianBasisSet *pbs3=bs3_.pointer(); in compute_quartet() local
238 swtch(pbs3,pbs4); in compute_quartet()
248 swtch(pbs1,pbs3); in compute_quartet()
277 int ctr3 = pbs3->shell_to_center(sh3); in compute_quartet()
281 Libint_.CD[i] = pbs3->r(ctr3,i) - pbs4->r(ctr4,i); in compute_quartet()
284 quartet_info_.C[i] = pbs3->r(ctr3,i); in compute_quartet()
438 swtch(pbs1,pbs3); in compute_quartet()
448 swtch(pbs3,pbs4); in compute_quartet()
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| H A D | comp_grt.cc | 83 GaussianBasisSet *pbs3=bs3_.pointer(); in compute_quartet() local
238 swtch(pbs3,pbs4); in compute_quartet()
248 swtch(pbs1,pbs3); in compute_quartet()
277 int ctr3 = pbs3->shell_to_center(sh3); in compute_quartet()
282 double C = pbs3->r(ctr3,i); in compute_quartet()
504 swtch(pbs1,pbs3); in compute_quartet()
514 swtch(pbs3,pbs4); in compute_quartet()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/ |
| H A D | comp2e.cc | 127 GaussianBasisSet *pbs3=bs3_.pointer(); in compute_erep() local
227 swtch(pbs3,pbs4); in compute_erep()
238 swtch(pbs3,pbs4); in compute_erep()
250 swtch(pbs1,pbs3); in compute_erep()
273 swtch(pbs1,pbs3); in compute_erep()
303 pbs3_ = pbs3; in compute_erep()
582 swtch(pbs1,pbs3); in compute_erep()
592 swtch(pbs3,pbs4); in compute_erep()
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