faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2,&
sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2,&
eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,&
- sigder,dsci_inv,dscj_inv
- real(kind=8),dimension(3) :: erij,gg
+ sigder,dsci_inv,dscj_inv,dCAVdOM1,dGCLdOM1,dPOLdOM1, &
+ dCAVdOM2,dGCLdOM2,dPOLdOM2,dCAVdOM12,dGCLdOM12
+ real(kind=8),dimension(3) :: erij,gg,gg_lipi,gg_lipj
!-----------------------------------------------------------------------------
end module calc_data
+ module calc_data_nucl
+!-----------------------------------------------------------------------------
+! commom.calc common/calc/
+ integer :: i,j,k,l,ind
+ real(kind=8) :: rrij,rij,xj,yj,zj,dxj,dyj,dzj,&
+ chi1,chi2,chi12,chip1,chip2,chip12,alf1,alf2,alf12,om1,om2,om12,&
+ om1om2,chiom1,chiom2,chiom12,chipom1,chipom2,chipom12,eps1,&
+ faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2,&
+ sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2,&
+ eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,&
+ sigder,dsci_inv,dscj_inv
+ real(kind=8),dimension(3) :: erij,gg,gg_lipi,gg_lipj
+!-----------------------------------------------------------------------------
+ end module calc_data_nucl
+