+++ /dev/null
-C Torsional constants of the rotation about virtual-bond dihedral angles
- double precision v1,v2,vlor1,vlor2,vlor3,v0
- integer itortyp,ntortyp,nterm,nlor,nterm_old
- common/torsion/ v0(-maxtor:maxtor,-maxtor:maxtor,2),
- & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
- & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
- & vlor1(maxlor,maxtor,maxtor),
- & vlor2(maxlor,maxtor,maxtor),
- & vlor3(maxlor,maxtor,maxtor),
- & nterm(-maxtor:maxtor,-maxtor:maxtor,2),
- & nlor(-maxtor:maxtor,-maxtor:maxtor,2),
- & itortyp(-ntyp:ntyp),
- & ntortyp,
- & nterm_old
-C 6/23/01 - constants for double torsionals
- double precision v1c,v1s,v2c,v2s
- integer ntermd_1,ntermd_2
- common /torsiond/
- &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
- &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
- &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
- & -maxtor:maxtor,2),
- &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
- & -maxtor:maxtor,2),
- & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
- & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
-C 9/18/99 - added Fourier coeffficients of the expansion of local energy
-C surface
- double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
- integer nloctyp
- common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor)
- & ,cc(2,2,-maxtor:maxtor),
- & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
- & ctilde(2,2,-maxtor:maxtor),
- & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp