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Searched refs:wijab (Results 1 – 16 of 16) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/
H A Djvltest.F896 wijab(a,f,k,j) = 0.0d0
899 wijab(a,f,k,j) = wijab(a,f,k,j) + wiabc(f,b,e,j)
944 double precision wijab(virt,virt,occ,occ), local
953 wijab(b,e,n,j) = 0.0d0
956 wijab(b,e,n,j) = wijab(b,e,n,j) + t2(i,j,c,e)
1247 double precision wijab(virt,virt,occ,occ), local
1256 wijab(c,a,n,m) = 0.0d0
1259 wijab(c,a,n,m) = wijab(c,a,n,m) + t2(k,m,a,b) * t2(k,n,c,b)
1325 double precision wijab(virt,virt,occ,occ), local
1334 wijab(f,e,i,k) = 0.0d0
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/
H A Djvltest.F896 wijab(a,f,k,j) = 0.0d0
899 wijab(a,f,k,j) = wijab(a,f,k,j) + wiabc(f,b,e,j)
944 double precision wijab(virt,virt,occ,occ),
953 wijab(b,e,n,j) = 0.0d0
956 wijab(b,e,n,j) = wijab(b,e,n,j) + t2(i,j,c,e)
1247 double precision wijab(virt,virt,occ,occ),
1256 wijab(c,a,n,m) = 0.0d0
1259 wijab(c,a,n,m) = wijab(c,a,n,m) + t2(k,m,a,b) * t2(k,n,c,b)
1325 double precision wijab(virt,virt,occ,occ),
1334 wijab(f,e,i,k) = 0.0d0
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/grad_ozone/
H A Dgrad_ozone.out523 Done wijab at 4.3s
1178 Done wijab at 16.9s
1196 Done wijab at 17.5s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/grad_ozone/
H A Dgrad_ozone.out523 Done wijab at 4.3s
1178 Done wijab at 16.9s
1196 Done wijab at 17.5s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2mp2/
H A Dh2mp2.out470 Done wijab at 1.2s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2mp2/
H A Dh2mp2.out470 Done wijab at 1.2s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/grad_nh3_trimer/
H A Dgrad_nh3_trimer.out1312 Done wijab at 31.7s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/grad_nh3_trimer/
H A Dgrad_nh3_trimer.out1312 Done wijab at 31.7s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/hess_nh3_dimer/
H A Dhess_nh3_dimer.out1051 Done wijab at 21.3s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/hess_nh3_dimer/
H A Dhess_nh3_dimer.out1051 Done wijab at 21.3s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/hess_nh3/
H A Dhess_nh3.out1114 Done wijab at 7.2s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/hess_nh3/
H A Dhess_nh3.out1114 Done wijab at 7.2s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/n2_ccsd/
H A Dn2_ccsd.out711 Done wijab at 0.9s
1664 Done wijab at 3.0s
2607 Done wijab at 5.0s
3280 Done wijab at 6.6s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/n2_ccsd/
H A Dn2_ccsd.out711 Done wijab at 0.9s
1664 Done wijab at 3.0s
2607 Done wijab at 5.0s
3280 Done wijab at 6.6s
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/mp2_si2h6/
H A Dmp2_si2h6.out4554 Done wijab at 11.0s
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/mp2_si2h6/
H A Dmp2_si2h6.out4554 Done wijab at 11.0s