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,-maxtor:maxtor),
5 & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor),
6 & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor),
7 & vlor1(maxlor,maxtor,maxtor),
8 & vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
9 & itortyp(-ntyp:ntyp),ntortyp,
10 & nterm(-maxtor:maxtor,-maxtor:maxtor,2),
11 & nlor(-maxtor:maxtor,-maxtor:maxtor,2)
13 C 6/23/01 - constants for double torsionals
14 double precision v1c,v1s,v2c,v2s
15 integer ntermd_1,ntermd_2
16 common /torsiond/ v1c(2,maxtermd_1,maxtor,maxtor,maxtor),
17 & v1s(2,maxtermd_1,maxtor,maxtor,maxtor),
18 & v2c(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
19 & v2s(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
20 & ntermd_1(maxtor,maxtor,maxtor),ntermd_2(maxtor,maxtor,maxtor)
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:maxtor),b2(2,-maxtor:maxtor)
26 & ,cc(2,2,-maxtor:maxtor),
27 & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
28 & ctilde(2,2,-maxtor:maxtor),
29 & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp