- write (iout,'(2(a3,i3,2x),17(0pf7.3))')
- & restyp(itypi),i,restyp(itypj),j,
- & epsi,sigm,chi1,chi2,chip1,chip2,
- & eps1,eps2rt**2,eps3rt**2,sig,sig0ij,
- & om1,om2,om12,1.0D0/rij,1.0D0/rij_shift,
- & evdwij
- write (iout,*) "pratial sum", evdw,evdw_t
+C write (iout,'(2(a3,i3,2x),17(0pf7.3))')
+C & restyp(itypi),i,restyp(itypj),j,
+C & epsi,sigm,chi1,chi2,chip1,chip2,
+C & eps1,eps2rt**2,eps3rt**2,sig,sig0ij,
+C & om1,om2,om12,1.0D0/rij,1.0D0/rij_shift,
+C & evdwij
+ write (iout,*) "pratial sum", evdw,evdw_t,e1,e2,fac,aa