/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
H A D | intpd_2e3c.F | 74 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent 126 c_cent = (sf_ibs_cn2ce(jsh,ket)) 129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then 142 call intp_txyz(c_cent,cd_geom,Rj,xyz_new_j) 176 & dbl_mb(mb_exndcf(c_icfp,ket)), c_prim, c_gen, Lc, c_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 | 86 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent local 167 c_cent = (sf_ibs_cn2ce(jsh,ket)) 227 & ketin,jsh,coords(1,c_cent,cd_geom), 287 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)), 289 & dbl_mb(mb_exndcf(c_icfps,kets)), c_prim,c_gen,Lc,c_cent, 303 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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H A D | intp_2e3c.F | 68 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent local 119 c_cent = (sf_ibs_cn2ce(jsh,ket)) 124 call intp_txyz(c_cent,cd_geom,Rj,xyz_new_j)
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H A D | int_2e4c.F | 126 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent, c_icfps local 208 c_cent = (sf_ibs_cn2ce(ksh,ket)) 286 & ketin,ksh,coords(1,c_cent,cd_geom), 368 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)), 370 & dbl_mb(mb_exndcf(c_icfps,kets)), c_prim,c_gen,Lc,c_cent, 383 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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H A D | int_giao_2e.F | 98 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent, c_icfps local 127 c_cent = (sf_ibs_cn2ce(ksh,ket)) 181 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
H A D | intpd_2e3c.F | 74 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent 126 c_cent = (sf_ibs_cn2ce(jsh,ket)) 129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then 142 call intp_txyz(c_cent,cd_geom,Rj,xyz_new_j) 176 & dbl_mb(mb_exndcf(c_icfp,ket)), c_prim, c_gen, Lc, c_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 | 86 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent 167 c_cent = (sf_ibs_cn2ce(jsh,ket)) 227 & ketin,jsh,coords(1,c_cent,cd_geom), 287 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)), 289 & dbl_mb(mb_exndcf(c_icfps,kets)), c_prim,c_gen,Lc,c_cent, 303 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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H A D | intp_2e3c.F | 68 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent 119 c_cent = (sf_ibs_cn2ce(jsh,ket)) 124 call intp_txyz(c_cent,cd_geom,Rj,xyz_new_j)
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H A D | int_2e4c.F | 126 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent, c_icfps 208 c_cent = (sf_ibs_cn2ce(ksh,ket)) 286 & ketin,ksh,coords(1,c_cent,cd_geom), 368 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)), 370 & dbl_mb(mb_exndcf(c_icfps,kets)), c_prim,c_gen,Lc,c_cent, 383 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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H A D | int_giao_2e.F | 98 integer Lc, c_prim, c_gen, c_iexp, c_icfp, c_cent, c_icfps 127 c_cent = (sf_ibs_cn2ce(ksh,ket)) 181 & coords(1,c_cent,cd_geom), dbl_mb(mb_exndcf(c_iexp,ket)),
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/dports/dns/pdnsd/pdnsd-1.2.9a/src/ |
H A D | conf-parser.c | 1237 dns_cent_t c_cent={0}; in confparse() local 1261 if (c_cent.qname) { in confparse() 1278 if (c_cent.qname) { in confparse() 1295 if (!c_cent.qname) in confparse() 1332 if (!c_cent.qname) in confparse() 1346 if (!c_cent.qname) in confparse() 1366 if (!c_cent.qname) in confparse() 1423 if (!c_cent.qname) in confparse() 1483 if (!c_cent.qname) in confparse() 1485 if(c_cent.qname[0]==1 && c_cent.qname[1]=='*') { in confparse() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
H A D | raktest.F | 2999 integer ctype, cprim, ie_c, ic_c, c_cent local 3119 c_cent = sf_ibs_cn2ce(icont,indecp) 3120 call dcopy(3,coords(1,c_cent,geom),1,xyzc,1) 3158 if (a_cent.eq.b_cent.and.a_cent.eq.c_cent) then
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
H A D | raktest.F | 2999 integer ctype, cprim, ie_c, ic_c, c_cent 3119 c_cent = sf_ibs_cn2ce(icont,indecp) 3120 call dcopy(3,coords(1,c_cent,geom),1,xyzc,1) 3158 if (a_cent.eq.b_cent.and.a_cent.eq.c_cent) then
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