Page 401 - Handbook Of Multiphase Flow Assurance

400 10. Research methods in flow assurance

COMMON /chain / monodata(100,100),monocount(99),nbackbone
COMMON /NATOMS/ Norgn, Nwatrs, M1, M2, M3, M4
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq
COMMON /WPOS / xw(6000,3), yw(6000,3), zw(6000,3),qw(3)
COMMON /SURF1 / a, ap
COMMON /NWPOS / xn(1000), yn(1000), zn(1000)
COMMON /BDIST / xmax, ymax, xmaxh, ymaxh
COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
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 /RATIOS/ Ratiot, Ratior, Ratiop

C set the name of the .POS file to a current MC move number
if(Kcyc.eq.0) then
ndig=1
else
ndig=int(log(dble(Kcyc))/log(10.D0))+1
endif
form='(I'//char(ndig+48)//')'
write(fname,form)Kcyc
fname = fname(1:ndig)//'.pos'
IF(Neq.eq.0)fname = fname(1:ndig)//'e.pos'
open(unit=1,file=fname,status='unknown')

C coordinates for YX polymer
scale=240/ymax
write(1,'(F4.0)')scale
nxoff=60
nyoff=240
if(ap.eq.2)then
nxoff=160
nyoff=240
endif
write(1,'(3I4)')natom
do i=1,natom
ir=iatomtype(i,1)*scale/15
iix=int(yn(i)*scale)+nxoff
iiy=int(xn(i)*scale)+nyoff
write(1,'(5I4)')ir,iix,iiy,nbonds(i),iatomtype(i,1)
do j=1,nbonds(i)
ix=int(yn(ibonddata(i,j))*scale)+nxoff