182acaeed845ff134746906b36a5d55c3a060634
[unres.git] / source / unres / src_MD / src / COMMON.REMD
1       integer nrep,nstex,hremd
2       logical remd_tlist,remd_mlist,mremdsync,restart1file,traj1file
3       double precision retmin,retmax,remd_t(maxprocs)
4       double precision hweights(maxprocs/20,n_ene)
5       integer remd_m(maxprocs),i_sync_step
6       integer*2 i2rep(0:maxprocs),i2set(0:maxprocs)
7       integer*2 ifirst(maxprocs)
8       integer*2 nupa(0:maxprocs/4,0:maxprocs),
9      &          ndowna(0:maxprocs/4,0:maxprocs)
10       real t_restart1(5,maxprocs)
11       integer iset_restart1(maxprocs)
12       logical t_exchange_only
13       common /remdcommon/ nrep,nstex,retmin,retmax,remd_t,remd_tlist,
14      &                    remd_mlist,remd_m,mremdsync,restart1file,
15      &                    traj1file,i_sync_step,t_exchange_only
16       common /hamilt_remd/ hweights,hremd
17       common /remdrestart/ i2rep,i2set,ifirst,nupa,ndowna,t_restart1,
18      &                    iset_restart1
19       real totT_cache,EK_cache,potE_cache,t_bath_cache,Uconst_cache,
20      &     qfrag_cache,qpair_cache,c_cache,
21      &     ugamma_cache,utheta_cache
22       integer ntwx_cache,ii_write,max_cache_traj_use
23       common /traj1cache/ totT_cache(max_cache_traj),
24      &                    EK_cache(max_cache_traj),
25      &                    potE_cache(max_cache_traj),
26      &                    t_bath_cache(max_cache_traj),
27      &                    Uconst_cache(max_cache_traj),
28      &                    qfrag_cache(50,max_cache_traj),
29      &                    qpair_cache(100,max_cache_traj),
30      &                    ugamma_cache(maxfrag_back,max_cache_traj),
31      &                    utheta_cache(maxfrag_back,max_cache_traj),
32      &                    uscdiff_cache(maxfrag_back,max_cache_traj),
33      &                    c_cache(3,maxres2+2,max_cache_traj),
34      &                    iset_cache(max_cache_traj),ntwx_cache,
35      &                    ii_write,max_cache_traj_use
36