Page 409 - Handbook Of Multiphase Flow Assurance

408 10. Research methods in flow assurance

write(1,20)ncyc,deltrn,rt,delrot,rr,delpiv,rp,xave,yave,zave,
&hbpave,hbsave,rave,Eplmave,Esrfave,Ecurave
write(6,20)ncyc,deltrn,rt,delrot,rr,delpiv,rp,xave,yave,zave,
&hbpave,hbsave,rave,Eplmave,Esrfave,Ecurave
20 FORMAT(I4,6F4.1,2F6.1,F5.1,F5.2,F5.1,F5.1,F6.1,2F7.1)
close(1)

RETURN
END
C
C-------------------------------------------------------------------
C
SUBROUTINE SAMGOZ

C this subroutine writes the following to a ALLDATA.DAT file
c nbackbone, Running-average # of H-bonds from each segment to surface;
c Epoly, Esurf, total energy for the whole simulation, and
c total Esurf for the print interval, and current Esurf for each segment.

IMPLICIT REAL*8(A-H,O-Z)
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq
COMMON /SPACE / xms(1000), yms(1000), zms(1000)
COMMON /NHB / nhb(100),nhbpoly,nhbcurr(100)
COMMON /chain / monodata(100,100),monocount(99),nbackbone
COMMON /ZSAVE / zrun(100),epolymer,Erun
COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
deno=1/(kcyc*3.d0)
E1=Erun*deno
Esur=Erun-Epolymer
E2=Esur*deno
E3=Epolymer*deno
E4=zrun(9)/(Kprint*3.D0)

open(unit=1,POSITION='APPEND',file='alldata.dat',status='unknown')
ccc open(unit=1,access='APPEND',file='alldata.dat',status='unknown')
write(1,'(I7,4F8.2,I3,99F6.1,99F4.1)')Kcyc,E3,E2,E1,E4,nbackbone,
& (deno*nhb(i),i=1,nbackbone),(Esurf(i),i=1,nbackbone)
close(1)

c re-zero the current period counters
do i=1,100
zrun(i)=0.D0
end do

RETURN