Print energies in MD with npener as frequency

This commit is contained in:
Tjerk Straatsma 2002-08-12 15:06:35 +00:00
parent 2ac03b31d4
commit 61ca01d273

View file

@ -1,7 +1,7 @@
subroutine prp_step(mdstep,stime,eww,esw,ess,fss,esk,
+ epme,uqmd,uqmmm)
c
c $Id: prp_main.F,v 1.85 2002-07-17 14:25:20 d3j191 Exp $
c $Id: prp_main.F,v 1.86 2002-08-12 15:06:35 d3j191 Exp $
c
implicit none
c
@ -19,6 +19,10 @@ c
real*8 stime,esk(msf),uqmd,uqmmm
c
if(me.eq.0) call prp_stat(mdstep,stime,eww,esw,ess,esk,epme(iset))
c
if(frequency(mdstep,npener)) then
call cf_print_energy(lfnout)
endif
c
if(frequency(mdstep,nfprop)) call prp_record()
c