Page 392 - Handbook Of Multiphase Flow Assurance

Computer code (Makogon, 1994, 1997) 391

Eold=0.D0
do 60 i=1,nbackbone
60 Eold=Eold+Esurf(i)

Eold=Eold+Epold
RETURN
END
C
C-------------------------------------------------------------------
C
SUBROUTINE ENERGY(Ener)
IMPLICIT REAL*8(A-H,O-Z)
integer a, ap
integer*2 ncenter,ncenter2
COMMON /BDIST / xmax, ymax, xmaxh, ymaxh
COMMON /side / side, unitside
COMMON /diag / diag
COMMON /types / iatomtype(1000,2),nbondfound,natom,ngroups,ncall
COMMON /atoms / atomdata(1000,4),atomdata2(1000,4)
COMMON /chain / monodata(100,100),monocount(99),nbackbone
COMMON /bonds / ibonddata(1000,4),nbonds(1000)
COMMON /LJPAM / DD(6,1000), RR(6,1000), DHB(1000), RHB(1000)
COMMON /NATOMS/ Norgn, Nwatrs, M1, M2, M3, M4
COMMON /NHB / nhb(100),nhbpoly,nhbcurr(100)
COMMON /NWPOS / xn(1000), yn(1000), zn(1000)
COMMON /POTPAM/ Casqof,Co,Rsqon,Rsqoff,Rcut,Pi, Tk,Temp
COMMON /WPOS / xw(6000,3), yw(6000,3), zw(6000,3), qw(3)
COMMON /SURF1 / a, ap
COMMON /center/ ncenter,ncenter2
COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
COMMON /ZSAVE / zrun(100),epolymer,Erun
C
C Calculate interaction of polymer with the surface.
C Outer loop over all polymer segments
C set temporary surface energies to accepted values
do 100 i=1,nbackbone
100 Es(i)=Esurf(i)
c determine which segments were moved and need new energy calculation
ni = 1
nii= nbackbone
if(ncall.eq.3) then
ni = 1
nii= ncenter
if(ncenter.gt.nbackbone/2) then
ni = ncenter