source/unres/src_MD/md-diff/np/hnose.f

   1 c------------------------------------------------------
   2       double precision function HNose(ek,s,e,pi,Q,t_bath,dimen)
   3       implicit none
   4       double precision ek,s,e,pi,Q,t_bath,Rb
   5       integer dimen
   6       Rb=0.001986d0
   7       HNose=ek+e+pi**2/(2*Q)+dimen*Rb*t_bath*log(s)
   8 c      print '(6f15.5,i5,a2,2f15.5)',ek,s,e,pi,Q,t_bath,dimen,"--",
   9 c     &      pi**2/(2*Q),dimen*Rb*t_bath*log(s)
  10       return
  11       end