X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fcalc_data.f90;h=38274d11be24f47dfd8378d1133bc1ee18a439ed;hb=fe0a8e52832b7703fb74f8b6909871fc17047a02;hp=7de07b05b97ad574e6c63d591a50c38024d385de;hpb=04d0eb23476c67cc0cadc32bf09aa91c03e2dc15;p=unres4.git diff --git a/source/unres/data/calc_data.f90 b/source/unres/data/calc_data.f90 index 7de07b0..38274d1 100644 --- a/source/unres/data/calc_data.f90 +++ b/source/unres/data/calc_data.f90 @@ -8,7 +8,8 @@ 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 + 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