integer dimen,dimen1, dimen3, ifrag(2,50,maxprocs/20),
& ipair(2,100,maxprocs/20),iset,
& mset(maxprocs/20),nset
+ logical loc_qlike,adaptive
double precision IP,ISC(ntyp+1),mp,
& msc(ntyp+1),d_t_work(MAXRES6),
& d_t_work_new(MAXRES6),d_t(3,0:MAXRES2),d_t_new(3,0:MAXRES2),
& Gsqrp(MAXRES2,MAXRES2),Gsqrm(MAXRES2,MAXRES2),
& vtot(MAXRES2),Gvec(maxres2,maxres2),Geigen(maxres2)
double precision v_ini,d_time,d_time0,t_bath,tau_bath,
- & EK,potE,potEcomp(0:n_ene+4),totE,totT,amax,kinetic_T,dvmax,damax,
+ & EK,potE,potEcomp(0:n_ene+8),totE,totT,amax,kinetic_T,dvmax,damax,
& edriftmax,
& eq_time,wfrag(50,maxprocs/20),wpair(100,maxprocs/20),
& qfrag(50),qpair(100),
& utheta(maxfrag_back),ugamma(maxfrag_back),uscdiff(maxfrag_back),
& dutheta(maxres),dugamma(maxres),duscdiff(3,maxres),
& duscdiffx(3,maxres),wfrag_back(3,maxfrag_back,maxprocs/20),
+ & qloc(3,maxfrag_back),
+ & qin_back(3,maxfrag_back,maxprocs/20),
& uconst_back
integer n_timestep,ntwx,ntwe,lang,count_reset_moment,
& count_reset_vel,reset_fricmat,nfrag,npair,nfrag_back,
& nginv_start,nginv_counts,myginv_ng_count
common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
& dutheta,dugamma,duscdiff,duscdiffx,
- & wfrag_back,nfrag_back,ifrag_back
+ & qin_back,qloc,wfrag_back,nfrag_back,ifrag_back
common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
& Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
- & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag
+ & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag,loc_qlike,adaptive
common /mdpar/ v_ini,d_time,d_time0,scal_fric,
& t_bath,tau_bath,dvmax,damax,n_timestep,mdpdb,
& ntime_split,ntime_split0,maxtime_split,
& vtot,dimen,dimen1,dimen3,lang,
& reset_moment,reset_vel,count_reset_moment,count_reset_vel,
& rattle,RESPA
- common /inertia/ IP,ISC,MP,MSC
+ common /inertia/ IP,ISC,mp,MSC
double precision scal_fric,rwat,etawat,gamp,
& gamsc(ntyp1),stdfp,stdfsc(ntyp),stdforcp(MAXRES),
& stdforcsc(MAXRES),pstok,restok(ntyp+1),cPoise,Rb