| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/simint/source/ |
| H A D | nwcsim_hf2.F | 3 J kl_basis,k_sh,l_sh,
9 integer kl_basis ! basis for ket [in]
37 call simint_create_multi_shellpair(1,smnt_sh(k_sh,kl_basis),
38 S 1,smnt_sh(l_sh,kl_basis), ket_msh, smnt_screen_method)
40 write(6,'(a,2i10)') ' basis tags ',ij_basis,kl_basis
166 J kl_basis,k_sh,l_sh,
172 integer kl_basis ! basis for ket [in]
195 call simint_create_multi_shellpair(1,smnt_sh(k_sh,kl_basis),
196 S 1,smnt_sh(l_sh,kl_basis), ket_msh, smnt_screen_method)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/simint/source/ |
| H A D | nwcsim_hf2.F | 3 J kl_basis,k_sh,l_sh, argument
9 integer kl_basis ! basis for ket [in] local
37 call simint_create_multi_shellpair(1,smnt_sh(k_sh,kl_basis),
38 S 1,smnt_sh(l_sh,kl_basis), ket_msh, smnt_screen_method)
40 write(6,'(a,2i10)') ' basis tags ',ij_basis,kl_basis
166 J kl_basis,k_sh,l_sh, argument
172 integer kl_basis ! basis for ket [in] local
195 call simint_create_multi_shellpair(1,smnt_sh(k_sh,kl_basis),
196 S 1,smnt_sh(l_sh,kl_basis), ket_msh, smnt_screen_method)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/ |
| H A D | test_calc2.f | 45 kl_basis=num_bas_kl
91 if(ij_basis.eq.kl_basis) then
122 if(ijsh.ge.klsh .OR. ij_basis.ne.kl_basis) then
135 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
157 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
386 kl_basis=num_bas_kl
449 if(ij_basis.eq.kl_basis) then
473 if(ijsh.ge.klsh .OR. ij_basis.ne.kl_basis) then
486 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
666 kl_basis=num_bas_kl
[all …]
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| H A D | texas_hf.F | 1 subroutine texas_hf2_m(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart, argument
14 integer ij_basis, ish(*), jsh(*), kl_basis, ksh(*), lsh(*) local
40 call texas_hf2_m2(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart,
51 subroutine texas_hf2_m2(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart, argument
75 integer ij_basis, kl_basis local
131 if(kl_basis.eq.num_bas_1) go to 1002
132 if(kl_basis.eq.num_bas_2) go to 1002
133 if(kl_basis.eq.num_bas_3) go to 1002
139 write(6,*)' kl_basis handle :',kl_basis
1447 if(kl_basis.eq.num_bas_2) then
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/ |
| H A D | test_calc2.f | 45 kl_basis=num_bas_kl
91 if(ij_basis.eq.kl_basis) then
122 if(ijsh.ge.klsh .OR. ij_basis.ne.kl_basis) then
135 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
157 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
386 kl_basis=num_bas_kl
449 if(ij_basis.eq.kl_basis) then
473 if(ijsh.ge.klsh .OR. ij_basis.ne.kl_basis) then
486 call texas_hf2_m(ij_basis,ics,jcs,kl_basis,kcs,lcs,
666 kl_basis=num_bas_kl
[all …]
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| H A D | texas_hf.F | 1 subroutine texas_hf2_m(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart, argument
14 integer ij_basis, ish(*), jsh(*), kl_basis, ksh(*), lsh(*)
40 call texas_hf2_m2(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart,
51 subroutine texas_hf2_m2(ij_basis,ish,jsh,kl_basis,ksh,lsh,nquart,
75 integer ij_basis, kl_basis
131 if(kl_basis.eq.num_bas_1) go to 1002
132 if(kl_basis.eq.num_bas_2) go to 1002
133 if(kl_basis.eq.num_bas_3) go to 1002
139 write(6,*)' kl_basis handle :',kl_basis
1447 if(kl_basis.eq.num_bas_2) then
[all …]
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