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,2),
5 & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
6 & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
7 & vlor1(maxlor,maxtor,maxtor),
8 & vlor2(maxlor,maxtor,maxtor),
9 & vlor3(maxlor,maxtor,maxtor),
10 & nterm(-maxtor:maxtor,-maxtor:maxtor,2),
11 & nlor(-maxtor:maxtor,-maxtor:maxtor,2),
12 & itortyp(-ntyp:ntyp),
15 C 6/23/01 - constants for double torsionals
16 double precision v1c,v1s,v2c,v2s
17 integer ntermd_1,ntermd_2
19 &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
20 &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
21 &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
23 &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
25 & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
26 & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
27 C 9/18/99 - added Fourier coeffficients of the expansion of local energy
29 double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
31 common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor)
32 & ,cc(2,2,-maxtor:maxtor),
33 & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
34 & ctilde(2,2,-maxtor:maxtor),
35 & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp