source/unres/src-HCD-5D/COMMON.MD

   1 ! General MD parameters
   2       double precision v_ini,d_time,d_time0,t_bath,tau_bath,
   3      & dvmax,damax,edriftmax
   4       integer n_timestep,ntwx,ntwe,lang,count_reset_moment,
   5      & count_reset_vel,ntime_split,ntime_split0,
   6      & maxtime_split,itime_mat,imatupdate
   7       logical large,print_compon,tbf,rest,reset_moment,reset_vel,
   8      & rattle,mdpdb,RESPA,preminim
   9       common /mdpar/ v_ini,d_time,d_time0,t_bath,
  10      & tau_bath,dvmax,damax,n_timestep,mdpdb,
  11      & ntime_split,ntime_split0,maxtime_split,itime_mat,imatupdate,
  12      & ntwx,ntwe,lang,large,print_compon,tbf,rest,preminim,
  13      & reset_moment,reset_vel,count_reset_moment,count_reset_vel,
  14      & rattle,RESPA
  15 ! Basic quantities
  16       double precision EK,potE,potEcomp(0:n_ene+8),totE,totT,amax,
  17      & kinetic_T
  18       common /MDcalc/ totT,totE,potE,potEcomp,EK,amax,edriftmax,
  19      & kinetic_T
  20 ! Parameters of distributed calculations of accelerations from forces
  21       integer igmult_start,igmult_end,my_ng_count,ng_start,ng_counts,
  22      & nginv_start,nginv_counts,myginv_ng_count
  23       common /mdpmpi/ igmult_start,igmult_end,my_ng_count,
  24      & myginv_ng_count,
  25      & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1),
  26      & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1)
  27 ! Gradient components
  28       double precision  gcart, gxcart, gradcag,gradxag
  29       common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES),
  30      & gradcag(3,MAXRES),gradxag(3,MAXRES)