e1=fac*fac*aa(itypi,itypj)
e2=fac*bb(itypi,itypj)
eij=eps1*eps2rt*eps3rt*(e1+e2)
+C write(iout,*) eij,'TU?1'
eps2der=eij*eps3rt
eps3der=eij*eps2rt
eij=eij*eps2rt*eps3rt
havebond=.true.
ssd=rij-ssXs
eij=ssA*ssd*ssd+ssB*ssd+ssC
-
+C write(iout,*) 'TU?2',ssc,ssd
ed=2*akcm*ssd+akct*deltat12
pom1=akct*ssd
pom2=v1ss+2*v2ss*cosphi+3*v3ss*cosphi*cosphi
h1=h_base(f1,hd1)
h2=h_base(f2,hd2)
eij=ssm*h1+Ht*h2
+C write(iout,*) eij,'TU?3'
delta_inv=1.0d0/(xm-ssxm)
deltasq_inv=delta_inv*delta_inv
fac=ssm*hd1-Ht*hd2
h1=h_base(f1,hd1)
h2=h_base(f2,hd2)
eij=Ht*h1+ljm*h2
+C write(iout,*) 'TU?4',ssA
delta_inv=1.0d0/(ljxm-xm)
deltasq_inv=delta_inv*delta_inv
fac=Ht*hd1-ljm*hd2
c-------END SECOND METHOD, CONTINUOUS SECOND DERIVATIVE
endif
-
+ write(iout,*) 'havebond',havebond
if (havebond) then
#ifndef CLUST
#ifndef WHAM