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),vlor3(maxlor,maxtor,maxtor),
9 & itortyp(-ntyp:ntyp),ntortyp,
10 & nterm(-maxtor:maxtor,-maxtor:maxtor,2),
11 & nlor(-maxtor:maxtor,-maxtor:maxtor,2)
12 C 6/23/01 - constants for double torsionals
13 double precision v1c,v1s,v2c,v2s
14 integer ntermd_1,ntermd_2
16 &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
17 &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
18 &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
20 &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
22 & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
23 & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
24 C 9/18/99 - added Fourier coeffficients of the expansion of local energy
26 double precision b1,b2,cc,dd,ee,ctilde,dtilde,b1tilde
28 common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor),
29 & cc(2,2,-maxtor:maxtor),
30 & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
31 & ctilde(2,2,-maxtor:maxtor),
32 & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp
34 common /fourier1/ b(13,maxtor)