*Deck MulDrv line.1 Subroutine MulDrv(V,NGot) line.2 C2IOp(20) line.198 C line.199 C How to do electrostatic-potential derived charges: line.200 C line.201 C 3 ... CHELPG point selection. line.206 C%SN 6 ... Kosugi point selection. vdw 2.0 < insert 4 lines C%SN 7 ... Kosugi point selection. vdw 1.7 < comment C%SN 8 ... Kosugi point selection. vdw 1.8 < C%SN 9 ... Kosugi point selection. vdw 1.9 < C 00 ... Default radii are those defined with the selected met line.207 c---------------------------------------------------------------------------------------------- *Deck DQ line.2486 Subroutine DQ(IOut,IPrint,ICtDip,IPFlag,AllowP,FMM,FMFlag,FMFlg1, line.2487 Parameter (LMax=4,NCompM=((LMax+1)*(LMax+2)*(LMax+3))/6,IRwS=514, line.2499 $ IRwEck=746) line.2500 C%SN< < insert 4 lines Parameter (MaxIOp=DEFMAXIOP) < Common/IOp/IOp(MaxIOp) < C%SN> < Logical UpdEdv, AddNuc, UsePsm, AllowP(*), HavLam, ZDOHam, ZDO, line.2501 $ FMM, AM1, AM1Ham line.2502 c............................................................................................... If(AddNuc) then line.2583 C%SN< < insert 14 lines if(IOp(20).ge.1.and.IOp(20).le.9) then < MAtoms=0 < do ii=1,NAtoms < if(IAn(ii).gt.0) MAtoms=MAtoms+1 < enddo < if(NAtoms.ne.MAtoms)then < NAtoms=MAtoms < write(IOut,'(A34,I3)') < & ' %%% Number of Atoms is changed to',NAtoms < write(IOut,*) ' ' < endif < endif < C%SN> < Call DipInt(IOut,IPrint,20002,0,0,LMax,0,0,XX,ISCRF,0,XX,IPFlag, line.2584 $ AllowP,FMM,FMFlag,FMFlg1,NFxFlg,IHMeth,NAtoms,IAn,.False., line.2585 $ IAtTyp,0,AtmChg,C,1,IJunk,JJ,XX,Zero,0,1,JJ,XX,.False.,IPBC, line.2586 $ CelVec,One,DNuc,V,MDV)