source/unres/src_Eshel/COMMON.MD

   1       double precision  gcart, gxcart, gradcag,gradxag
   2       common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES),
   3      & gradcag(3,MAXRES),gradxag(3,MAXRES)
   4        integer dimen,dimen1, dimen3, ifrag(2,50,maxprocs/20),
   5      &                       ipair(2,100,maxprocs/20),iset,
   6      &                       mset(maxprocs/20),nset
   7        double precision IP,ISC(ntyp+1),mp,
   8      & msc(ntyp+1),
   9      & eq_time,wfrag(50,maxprocs/20),wpair(100,maxprocs/20),
  10      & qfrag(50),qpair(100),
  11      & qinfrag(50,maxprocs/20),qinpair(100,maxprocs/20),
  12      & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
  13      & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES),
  14      & utheta(maxfrag_back),ugamma(maxfrag_back),uscdiff(maxfrag_back),
  15      & dutheta(maxres),dugamma(maxres),duscdiff(3,maxres),
  16      & duscdiffx(3,maxres),wfrag_back(3,maxfrag_back,maxprocs/20),
  17      & uconst_back
  18       integer
  19      & nfrag,npair,nfrag_back,
  20      & ifrag_back(3,maxfrag_back,maxprocs/20)
  21       integer nresn,nyosh,nnos
  22       logical large,print_compon
  23       common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
  24      & dutheta,dugamma,duscdiff,duscdiffx,
  25      & wfrag_back,nfrag_back,ifrag_back
  26       common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
  27      & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
  28      & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag
  29       common /mdpmpi/ igmult_start,igmult_end,my_ng_count,
  30      & myginv_ng_count,
  31      & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1),
  32      & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1)
  33       double precision pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,E_long,
  34      & sold_np,d_t_half,Csplit,hhh
  35       common /nosepoincare/ pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,
  36      & E_long,sold_np,d_t_half(3,0:MAXRES2),Csplit,hhh
  37       common /nosehoover/ glogs(maxmnh),qmass(maxmnh),
  38      &                    vlogs(maxmnh),xlogs(maxmnh),
  39      &                    nresn,nyosh,nnos,xiresp
  40       double precision pstok,restok(ntyp+1),cPoise,Rb
  41       common /langevin/ pstok,restok
  42       double precision t_bath
  43       common /mdpar/ t_bath