Page 408 - Handbook Of Multiphase Flow Assurance

Computer code (Makogon, 1994, 1997) 407

SUBROUTINE PRTOUT
IMPLICIT REAL*8(A-H,O-Z)

COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
COMMON /NATOMS/ Norgn, Nwatrs, M1, M2, M3, M4
COMMON /NHB / nhb(100),nhbpoly,nhbcurr(100)
COMMON /POTPAM/ Casqof,Co,Rsqon,Rsqoff,Rcut,Pi,Tk,Temp
COMMON /PROPTY/ Bmax, Gmax, Rdel
COMMON /STEPS / Deltrn, Delrot, Delpiv, Acctrn, Accrot, Accpiv
COMMON /ZSAVE / zrun(100),epolymer,Erun
COMMON /SPACE / xms(1000), yms(1000), zms(1000)
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq
COMMON /chain / monodata(100,100),monocount(99),nbackbone
COMMON /RATIOS/ Ratiot, Ratior, Ratiop
C
C ... run-monitor data
C ... Note: Three configurations are sampled per cycle
C

c zrun(1..3) - x,y,z(norgn)
c zrun(4) - R^2 end-to-end
c zrun(5) - H bonds between polymer segments
c zrun(6) - H bonds between polymer and surface
c zrun(7) - Total energy
c zrun(8) - Epoly
c zrun(9) - Esurf

ncyc=Int(kcyc*0.001)
rt=ratiot/acctrn
rr=ratior/accrot
rp=ratiop/accpiv
Deno = 1.D0/(kprint*3.D0)
xave=zrun(1)*deno
yave=zrun(2)*deno
zave=zrun(3)*deno
hbpave=zrun(5)*deno
hbsave=zrun(6)*deno
Rave=dsqrt(zrun(4)*deno)
Eplmave=zrun(8)*deno
Esrfave=zrun(9)*deno
Ecurave=zrun(7)*deno

C print MC run-time info
open(unit=1,POSITION='APPEND',file='output.dat',status='unknown')
ccc open(unit=1,access='APPEND',file='output.dat',status='unknown')