Page 431 - Handbook Of Multiphase Flow Assurance

430 10. Research methods in flow assurance

remflag(i)=0
if(z1(i).lt.(-C/unitside)) then
remflag(i)=1
endif
enddo
nrem=0
do i=1,npts
if(remflag(i).eq.0) then
x1(i-nrem)=x1(i)
y1(i-nrem)=y1(i)
z1(i-nrem)=z1(i)
x2(i-nrem)=x2(i)
y2(i-nrem)=y2(i)
z2(i-nrem)=z2(i)
x3(i-nrem)=x3(i)
y3(i-nrem)=y3(i)
z3(i-nrem)=z3(i)
else
nrem=nrem+1
endif
end do
npts=npts-nrem
C
C
C if desired, the unit cell will be enlarged to a NxMx1 surface size
C currently set to enlarge [100], [110] and [111] sI surfaces
C to 2x2; 2x1; 2x2 respectively.
c For a sII[111] surface a 2x2 enlargement is done for polymers with >8 units.
C
C replicate molecules in xyz arrays and adjust surface parameters
if(ap.eq.1.and.a.eq.1) then
C for [100] (ap=1)
do 461 ix=0, 1
do 461 iy=0, 1
do 461 i=1, npts
x1(i+ix*2*npts+iy*npts)=x1(i)+ix
y1(i+ix*2*npts+iy*npts)=y1(i)+iy
z1(i+ix*2*npts+iy*npts)=z1(i)
x2(i+ix*2*npts+iy*npts)=x2(i)+ix
y2(i+ix*2*npts+iy*npts)=y2(i)+iy
z2(i+ix*2*npts+iy*npts)=z2(i)
x3(i+ix*2*npts+iy*npts)=x3(i)+ix
y3(i+ix*2*npts+iy*npts)=y3(i)+iy
z3(i+ix*2*npts+iy*npts)=z3(i)
461 continue