correction for gfortran

[unres4.git] / source / unres / data / calc_data.f90

diff --git a/source/unres/data/calc_data.f90 b/source/unres/data/calc_data.f90
index 3f40fd0..38274d1 100644 (file)
--- a/source/unres/data/calc_data.f90
+++ b/source/unres/data/calc_data.f90
@@ -8,7 +8,23 @@
        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
+