| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intpd_2e3c.F | 75 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent
127 d_cent = (sf_ibs_cn2ce(ksh,ket))
129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then
177 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
178 & dbl_mb(mb_exndcf(d_icfp,ket)), d_prim,d_gen,Ld,d_cent,
184 call intd_sum(eri,mynint,idatom,p_cent,p_cent,c_cent,d_cent)
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| H A D | int_2e3c.F | 87 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent local
168 d_cent = (sf_ibs_cn2ce(ksh,ket))
228 & ksh,coords(1,d_cent,cd_geom),
290 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
292 & dbl_mb(mb_exndcf(d_icfps,kets)), d_prim,d_gen,Ld,d_cent,
305 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | intp_2e3c.F | 69 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent local
120 d_cent = (sf_ibs_cn2ce(ksh,ket))
156 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | int_2e4c.F | 127 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent, d_icfps local
209 d_cent = (sf_ibs_cn2ce(lsh,ket))
287 & lsh,coords(1,d_cent,cd_geom),
371 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
373 & dbl_mb(mb_exndcf(d_icfps,kets)), d_prim,d_gen,Ld,d_cent,
385 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | int_giao_2e.F | 99 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent, d_icfps local
128 d_cent = (sf_ibs_cn2ce(lsh,ket))
183 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intpd_2e3c.F | 75 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent
127 d_cent = (sf_ibs_cn2ce(ksh,ket))
129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then
177 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
178 & dbl_mb(mb_exndcf(d_icfp,ket)), d_prim,d_gen,Ld,d_cent,
184 call intd_sum(eri,mynint,idatom,p_cent,p_cent,c_cent,d_cent)
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| H A D | int_2e3c.F | 87 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent
168 d_cent = (sf_ibs_cn2ce(ksh,ket))
228 & ksh,coords(1,d_cent,cd_geom),
290 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
292 & dbl_mb(mb_exndcf(d_icfps,kets)), d_prim,d_gen,Ld,d_cent,
305 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | intp_2e3c.F | 69 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent
120 d_cent = (sf_ibs_cn2ce(ksh,ket))
156 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | int_2e4c.F | 127 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent, d_icfps
209 d_cent = (sf_ibs_cn2ce(lsh,ket))
287 & lsh,coords(1,d_cent,cd_geom),
371 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
373 & dbl_mb(mb_exndcf(d_icfps,kets)), d_prim,d_gen,Ld,d_cent,
385 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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| H A D | int_giao_2e.F | 99 integer Ld, d_prim, d_gen, d_iexp, d_icfp, d_cent, d_icfps
128 d_cent = (sf_ibs_cn2ce(lsh,ket))
183 & coords(1,d_cent,cd_geom), dbl_mb(mb_exndcf(d_iexp,ket)),
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