1 C Torsional constants of the rotation about virtual-bond dihedral angles
2 double precision v1,v2,vlor1,vlor2,vlor3,v0
3 integer itortyp,ntortyp,nterm,nlor,nterm_old
4 common/torsion/v0(maxtor,maxtor),v1(maxterm,maxtor,maxtor),
5 & v2(maxterm,maxtor,maxtor),vlor1(maxlor,maxtor,maxtor),
6 & vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
7 & itortyp(ntyp),ntortyp,nterm(maxtor,maxtor),nlor(maxtor,maxtor)
9 C 6/23/01 - constants for double torsionals
10 double precision v1c,v1s,v2c,v2s
11 integer ntermd_1,ntermd_2
13 &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
14 &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
15 &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
17 &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
19 & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
20 & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
21 C 9/18/99 - added Fourier coeffficients of the expansion of local energy
23 double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
25 common/fourier/ b1(2,maxtor),b2(2,maxtor),cc(2,2,maxtor),
26 & dd(2,2,maxtor),ee(2,2,maxtor),ctilde(2,2,maxtor),
27 & dtilde(2,2,maxtor),b1tilde(2,maxtor),nloctyp