X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_Eshel%2FCOMMON.MD;fp=source%2Funres%2Fsrc_Eshel%2FCOMMON.MD;h=093af51efb77d043426cedcf427a1649e08f7fa6;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git

diff --git a/source/unres/src_Eshel/COMMON.MD b/source/unres/src_Eshel/COMMON.MD
new file mode 100644
index 0000000..093af51
--- /dev/null
+++ b/source/unres/src_Eshel/COMMON.MD
@@ -0,0 +1,43 @@
+      double precision  gcart, gxcart, gradcag,gradxag
+      common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES),
+     & gradcag(3,MAXRES),gradxag(3,MAXRES)
+       integer dimen,dimen1, dimen3, ifrag(2,50,maxprocs/20), 
+     &                       ipair(2,100,maxprocs/20),iset,
+     &                       mset(maxprocs/20),nset
+       double precision IP,ISC(ntyp+1),mp,
+     & msc(ntyp+1),
+     & eq_time,wfrag(50,maxprocs/20),wpair(100,maxprocs/20),
+     & qfrag(50),qpair(100),
+     & qinfrag(50,maxprocs/20),qinpair(100,maxprocs/20),
+     & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
+     & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES),
+     & 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),
+     & uconst_back
+      integer 
+     & nfrag,npair,nfrag_back,
+     & ifrag_back(3,maxfrag_back,maxprocs/20)
+      integer nresn,nyosh,nnos
+      logical large,print_compon
+      common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
+     & dutheta,dugamma,duscdiff,duscdiffx,
+     & 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
+      common /mdpmpi/ igmult_start,igmult_end,my_ng_count,
+     & myginv_ng_count,
+     & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1),
+     & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1)
+      double precision pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,E_long,
+     & sold_np,d_t_half,Csplit,hhh
+      common /nosepoincare/ pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,
+     & E_long,sold_np,d_t_half(3,0:MAXRES2),Csplit,hhh
+      common /nosehoover/ glogs(maxmnh),qmass(maxmnh),
+     &                    vlogs(maxmnh),xlogs(maxmnh),
+     &                    nresn,nyosh,nnos,xiresp
+      double precision pstok,restok(ntyp+1),cPoise,Rb
+      common /langevin/ pstok,restok
+      double precision t_bath
+      common /mdpar/ t_bath