| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | int_nint.F | 29 & kbasin,kcnt,lbasin,lcnt)
42 integer kbasin !< [Input] basis set handle for kcnt local
82 if (.not.bas_cn2bfr(kbasin,kcnt,lo,hi))
122 & kbasin,kcnt,lbasin,lcnt)
135 integer kbasin !< [Input] basis set handle for kcnt local
169 nbf = nbf_from_ucont(kcnt,kbasin)
212 & kbasin,kcnt,lbasin,lcnt)
226 integer kbasin !< [Input] basis set handle for kcnt local
268 if (.not.bas_continfo(kbasin,kcnt,type,nprim,ngen,spcart))
319 & kbasin,kcnt,lbasin,lcnt)
[all …]
|
| H A D | exact_mem.F | 192 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize) argument
209 integer kbasin !< [Input] basis set handle for ``k'' contractions local
231 kbas = kbasin + BASIS_HANDLE_OFFSET
245 write(luout,*)' k handle ',kbasin
302 if (kbasin.eq.ibasin.or.kbasin.eq.jbasin) then
303 if(kbasin.eq.ibasin) then
309 call int_nbf_max(kbasin,nbfkmax)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_nint.F | 29 & kbasin,kcnt,lbasin,lcnt)
42 integer kbasin !< [Input] basis set handle for kcnt
82 if (.not.bas_cn2bfr(kbasin,kcnt,lo,hi))
122 & kbasin,kcnt,lbasin,lcnt)
135 integer kbasin !< [Input] basis set handle for kcnt
169 nbf = nbf_from_ucont(kcnt,kbasin)
212 & kbasin,kcnt,lbasin,lcnt)
226 integer kbasin !< [Input] basis set handle for kcnt
268 if (.not.bas_continfo(kbasin,kcnt,type,nprim,ngen,spcart))
319 & kbasin,kcnt,lbasin,lcnt)
[all …]
|
| H A D | exact_mem.F | 192 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize) argument
209 integer kbasin !< [Input] basis set handle for ``k'' contractions
231 kbas = kbasin + BASIS_HANDLE_OFFSET
245 write(luout,*)' k handle ',kbasin
302 if (kbasin.eq.ibasin.or.kbasin.eq.jbasin) then
303 if(kbasin.eq.ibasin) then
309 call int_nbf_max(kbasin,nbfkmax)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/prog/ |
| H A D | int_api_spec.tex | 1262 subroutine emem_3ov(ibasin,jbasin,kbasin,lsz_buf,memsize)
1267 integer kbasin ! [input] basis set handle for ``k'' contractions
1936 & kbasin,kcnt,lbasin,lcnt)
1943 integer kbasin ! [input] basis set handle for kcnt
1961 & kbasin,kcnt,lbasin,lcnt)
1968 integer kbasin ! [input] basis set handle for kcnt
1987 & kbasin,kcnt,lbasin,lcnt)
1994 integer kbasin ! [input] basis set handle for kcnt
2014 & kbasin,kcnt,lbasin,lcnt)
2021 integer kbasin ! [input] basis set handle for kcnt
|
| /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)
1267 integer kbasin ! [input] basis set handle for ``k'' contractions
1936 & kbasin,kcnt,lbasin,lcnt)
1943 integer kbasin ! [input] basis set handle for kcnt
1961 & kbasin,kcnt,lbasin,lcnt)
1968 integer kbasin ! [input] basis set handle for kcnt
1987 & kbasin,kcnt,lbasin,lcnt)
1994 integer kbasin ! [input] basis set handle for kcnt
2014 & kbasin,kcnt,lbasin,lcnt)
2021 integer kbasin ! [input] basis set handle for kcnt
|