Searched refs:daexpa (Results 1 – 2 of 2) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
| H A D | hnd_oechrg.F | 29 double precision daexpa,cci,axi,ayi,azi,dtol,rtol,rri,aa,rrk local
92 daexpa=cci*jcoef(jb,j_gen)* exp(-dum)*aa1
93 dum= abs(daexpa)
97 acharg( 1,nij)= daexpa
98 if(iieqjj.and.ia.ne.jb) acharg( 1,nij)=2.0d0*daexpa
165 daexpa=cci*lcoef(jb,l_gen)* exp(-dum)*aa1
166 dum= abs(daexpa)
170 bcharg( 1,nkl)= daexpa
171 if(kkeqll.and.ia.ne.jb) bcharg( 1,nkl)=2.0d0*daexpa
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
| H A D | hnd_oechrg.F | 29 double precision daexpa,cci,axi,ayi,azi,dtol,rtol,rri,aa,rrk
92 daexpa=cci*jcoef(jb,j_gen)* exp(-dum)*aa1
93 dum= abs(daexpa)
97 acharg( 1,nij)= daexpa
98 if(iieqjj.and.ia.ne.jb) acharg( 1,nij)=2.0d0*daexpa
165 daexpa=cci*lcoef(jb,l_gen)* exp(-dum)*aa1
166 dum= abs(daexpa)
170 bcharg( 1,nkl)= daexpa
171 if(kkeqll.and.ia.ne.jb) bcharg( 1,nkl)=2.0d0*daexpa
|