C Torsional constants of the rotation about virtual-bond dihedral angles
- double precision v1,v2,vlor1,vlor2,vlor3,v0
+ double precision v1,v2,vlor1,vlor2,vlor3,v0,v1_kcc,v2_kcc,
+ & v1_chyb,v2_chyb,v1bend_chyb
integer itortyp,ntortyp,nterm,nlor,nterm_old,nterm_kcc_Tb,
- & nterm_kcc,itortyp_kcc
+ & nterm_kcc,itortyp_kcc,nbend_kcc_Tb
common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor,2),
& v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
& v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
& vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
& v1_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
& v2_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
- & v1_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
- & v2_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+ & v1_chyb(maxtermkcc,maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+ & v2_chyb(maxtermkcc,maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+ & v1bend_chyb(maxtermkcc,-maxtor:maxtor),
& itortyp(-ntyp1:ntyp1),ntortyp,
& itortyp_kcc(-ntyp1:ntyp1),
& nterm(-maxtor:maxtor,-maxtor:maxtor,2),
& nlor(-maxtor:maxtor,-maxtor:maxtor,2),
& nterm_kcc_Tb(-maxtor:maxtor,-maxtor:maxtor),
& nterm_kcc(-maxtor:maxtor,-maxtor:maxtor),
+ & nbend_kcc_Tb(-maxtor:maxtor),
& nterm_old
C 6/23/01 - constants for double torsionals
double precision v1c,v1s,v2c,v2s