IMPLICIT real*8 (A-H,O-Z) IMPLICIT INTEGER (I-N) CHARACTER*19 :: fname1,fname2,fname3,fname4,fname5,fname6 CHARACTER*19 :: fname7,fname8,fname9,fname10,fname11,fname12 CHARACTER*19 :: fname13,fname14,fname15,fname16 PARAMETER (max2=12000,N=2,maxbin=200,maxbin2=500,max3=50) PARAMETER (pi=3.14159265359,dr=0.02) PARAMETER (nGr=8,dtheta=2.0e-03,nspecies=5) PARAMETER (natoms=4,ncgs=4) COMMON /pos1/ xm(max2,nspecies,N),ex(natoms,max2,nspecies,N),qx(ncgs,max2,nspecies,N) COMMON /pos2/ ym(max2,nspecies,N),ey(natoms,max2,nspecies,N),qy(ncgs,max2,nspecies,N) COMMON /pos3/ zm(max2,nspecies,N),ez(natoms,max2,nspecies,N),qz(ncgs,max2,nspecies,N) COMMON /var1/ Vol(N),disp_b,disp_s,Dgamax_b,Dgamax_s,bl(natoms,nspecies),ql(ncgs,nspecies) COMMON /var2/ t,Uold(N),Temp(50),Vatt,Vrep,P_set(50),charge(ncgs,nspecies) COMMON /var3/ Qa(N),Qb(N),sqcut,cut,xao,Press,Vol0,dVir,Rho_set(50),chem_pot(nspecies,N) COMMON /var4/ rho_a(N),rho_m(N),dbox,cumfracA2(max3),VirNew,q(nspecies,N),el_sqcut,el_cut COMMON /var5/ box(3,N),delta,sigma(2),epsilon(2),Vir,B_vir,sig_m(natoms,nspecies,natoms,nspecies) COMMON /var6/ acc1,acc2,acc3_b,acc3_s,att1,att2,att3_b,eps_m(natoms,nspecies,natoms,nspecies) COMMON /var7/ att3_s,acc5,att5,cumNb_b(max3),cumNb_s(max3),t_equil,theta,diameter,cc_separation COMMON /var8/ att4_b,att4_s,acc4_b,acc4_s,cumU_b(max3),cumU_s(max3),cum_chem_pot(nspecies,N) COMMON /var9/ cum_P(max3),cumfracT(max3),rho_m0,cum_vol(max3),e_a,e_b,V_pore COMMON /var10/ cumfracA1(max3),TP_i,TP_f,P_temp,tmax,phi(max2,N),cum_B_vir(max3) COMMON /var11/ partition_f(N),partition_r(N),st_sig(natoms,nspecies),st_eps(natoms,nspecies) COMMON /var12/ sig(natoms,nspecies),eps(natoms,nspecies),sig_c,eps_c,D(50),acc_swap_i(3,max3) COMMON /var13/ cumN2_b(max3),cumN2_s(max3),cumH2_b(max3),cumH2_s(max3),acc_swap_o(3,max3) COMMON /var14/ eps_r(natoms,nspecies,natoms,nspecies),eps_a(natoms,nspecies,natoms,nspecies) COMMON /count1/ Nb(nspecies,N),Na(nspecies),Nc(nspecies),loop,iseed,Nstatus COMMON /count2/ numave(max3),ntemps,nprint,npress,nrdf,nanim,nph COMMON /count3/ nbl,kk,ntemps2,novr,nins,ndel,loopb,num_mol(nspecies+2) COMMON /count4/ Niso,lrc,num_run,isotherm,NAB,nsub,nblock,n_cont,inert COMMON /sda/ sd1(50000),sd2(50000),sd3(50000),sd4(50000) COMMON /sdb/ sd5(50000),sd6(50000),sd7(50000),sd8(50000) COMMON /hist1/ histA(maxbin+1,nGr),histB(maxbin+1,nGr),histC1(maxbin2+1,nGr) COMMON /hist2/ histC2(maxbin2+1,nGr),histA1(maxbin2+1,nGr),histA2(maxbin2+1,nGr) COMMON /hist3/ histA3(maxbin2+1,nGr) COMMON /ratio/ ratio1,ratio2,ratio3,ratio4,ratio5 COMMON /files1/ fname1,fname2,fname3,fname4,fname5,fname6 COMMON /files2/ fname7,fname8,fname9,fname10,fname11 COMMON /files3/ fname12,fname13,fname14 COMMON /pressr/ Press_vir, Press_id