parameter (NBmax=10000, M=3000, ML=300) parameter (MS = 4000,isa=1,iswl=1) ! M - number of molecules ! ML - maximal number in the neughbor list ! NBmax - maximal number of bins ! isa - number of different contacts (intermolecular) ! iswl - number of different contacts (with walls) COMMON/SPLINE/ R2(MS,isa),CS(4,MS,isa),R2w(MS,iswl),CSw(4,MS,iswl) COMMON/SPwall/ n_inter, n_wall, n_Molec COMMON/LIST/ LIST1(M,ML,4),LIST2(M,ML,4),NABL1(M),NABL2(M) COMMON/ENEN/ EDIF,UDIF,EMAIF,EPAIR,ESM COMMON/SEED/ ISEED, npart,nexc,ncycle,N,IX(M),NSTEP,NBIN COMMON/PERIOD/ xpore,ypore,zpore,xport,yport,zport COMMON/catof/ CTOF,CTOFS,CLR1,CLR2 COMMON/GRAP/ EGG(M),EGG0(M),EGG1(M) COMMON/GRAF/ EGT(M),EGT0(M),EGT1(M) COMMON/Flag/ MX,Nano COMMON/STEPS/ TD,TD2,OD,OD2,TDz,TD2z,DM,DM2,ROT,UPDATENB COMMON/BCONST/ BL0,HB0,HBS2,BL1,zz,pi,twopi,Glambd,STEPTST COMMON/BLN/ ULJ,VOL,ENTH,EMAG,UGTOT,UGT,UTOT,VTOT,HTOT * Enmol(m) - total energy of M molecule (ENmolt(M)) * UU(M,M) - Pair interaction (UTT(M,M)) * EGG(m) - wall interaction of M molecule (EGT(M)) COMMON/VM/ xc(M),yc(M),zc(M),U(M),V(M),W(M), 1 ENmol(m),ENmolt(m) ! 1 UU(M,M),UTT(M,M),ENmol(m),ENmolt(m) COMMON/COND/ TEMP,PRESS,Tmas,PBAR common/tube/ Rtube, dtube ,alpha COMMON/POT/ P(9),pmin,DZ,EPSLON,SIGMA,CS1,CS2 COMMON/CO/ ITT,IAT,IACT,ITE,IAR,IAA,ITO,IAO,IACO common/tmp/ ib, N_if_orn