| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | int_nint.F | 28 integer function int_nint(ibasin,icnt,jbasin,jcnt,
40 integer jbasin !< [Input] basis set handle for jcnt local
73 if (.not.bas_cn2bfr(jbasin,jcnt,lo,hi))
121 integer function int_unint(ibasin,icnt,jbasin,jcnt,
133 integer jbasin !< [Input] basis set handle for jcnt local
163 nbf = nbf_from_ucont(jcnt,jbasin)
211 integer function int_nint_cart(ibasin,icnt,jbasin,jcnt,
224 integer jbasin !< [Input] basis set handle for jcnt local
259 if (.not.bas_continfo(jbasin,jcnt,type,nprim,ngen,spcart))
318 integer function int_unint_cart(ibasin,icnt,jbasin,jcnt,
[all …]
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| H A D | exact_mem.F | 192 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize) argument
208 integer jbasin !< [Input] basis set handle for ``j'' contractions local
230 jbas = jbasin + BASIS_HANDLE_OFFSET
242 write(luout,*)' j handle ',jbasin
297 if (ibasin.eq.jbasin) then
300 call int_nbf_max(jbasin,nbfjmax)
302 if (kbasin.eq.ibasin.or.kbasin.eq.jbasin) then
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_nint.F | 28 integer function int_nint(ibasin,icnt,jbasin,jcnt,
40 integer jbasin !< [Input] basis set handle for jcnt
73 if (.not.bas_cn2bfr(jbasin,jcnt,lo,hi))
121 integer function int_unint(ibasin,icnt,jbasin,jcnt,
133 integer jbasin !< [Input] basis set handle for jcnt
163 nbf = nbf_from_ucont(jcnt,jbasin)
211 integer function int_nint_cart(ibasin,icnt,jbasin,jcnt,
224 integer jbasin !< [Input] basis set handle for jcnt
259 if (.not.bas_continfo(jbasin,jcnt,type,nprim,ngen,spcart))
318 integer function int_unint_cart(ibasin,icnt,jbasin,jcnt,
[all …]
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| H A D | exact_mem.F | 192 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize) argument
208 integer jbasin !< [Input] basis set handle for ``j'' contractions
230 jbas = jbasin + BASIS_HANDLE_OFFSET
242 write(luout,*)' j handle ',jbasin
297 if (ibasin.eq.jbasin) then
300 call int_nbf_max(jbasin,nbfjmax)
302 if (kbasin.eq.ibasin.or.kbasin.eq.jbasin) then
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/prog/ |
| H A D | int_api_spec.tex | 1262 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize)
1266 integer jbasin ! [input] basis set handle for ``j'' contractions
1935 integer function int_nint(ibasin,icnt,jbasin,jcnt,
1941 integer jbasin ! [input] basis set handle for jcnt
1960 integer function int_unint(ibasin,icnt,jbasin,jcnt,
1966 integer jbasin ! [input] basis set handle for jcnt
1986 integer function int_nint_cart(ibasin,icnt,jbasin,jcnt,
1992 integer jbasin ! [input] basis set handle for jcnt
2013 integer function int_unint_cart(ibasin,icnt,jbasin,jcnt,
2019 integer jbasin ! [input] basis set handle for jcnt
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| /dports/science/nwchem-data/nwchem-7.0.2-release/doc/prog/ |
| H A D | int_api_spec.tex | 1262 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize)
1266 integer jbasin ! [input] basis set handle for ``j'' contractions
1935 integer function int_nint(ibasin,icnt,jbasin,jcnt,
1941 integer jbasin ! [input] basis set handle for jcnt
1960 integer function int_unint(ibasin,icnt,jbasin,jcnt,
1966 integer jbasin ! [input] basis set handle for jcnt
1986 integer function int_nint_cart(ibasin,icnt,jbasin,jcnt,
1992 integer jbasin ! [input] basis set handle for jcnt
2013 integer function int_unint_cart(ibasin,icnt,jbasin,jcnt,
2019 integer jbasin ! [input] basis set handle for jcnt
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