Page 425 - Handbook Of Multiphase Flow Assurance

424 10. Research methods in flow assurance

if (bflag.eq.0) then
write(6,34)B
else
write(6,35)B
34 FORMAT(1X,'Position set to ',F10.6)
35 FORMAT(1X,'Position reset to ',F10.6)
endif
C end of check for proper slice position input
endif
C
write(*,*)'Enter desired slice thickness in Z direction:'
read(*,*) C

C read in the unit cell
do i=1, npts
read(1,*)ii,x1(i),y1(i),z1(i),x2(i),y2(i),z2(i),
- x3(i),y3(i),z3(i)
end do

C ------------[111]-------------------
if(ap.eq.2) then
C if constructing the [111] surface, the unit cell will be
C replicated 12 times for slicing
do 45 ix=0, nx
do 45 iy=0, ny
do 45 iz=0, nz
do 45 i=1, npts
x1(i+ix*6*npts+iy*3*npts+iz*npts)=x1(i)-ix
y1(i+ix*6*npts+iy*3*npts+iz*npts)=y1(i)-iy
z1(i+ix*6*npts+iy*3*npts+iz*npts)=z1(i)-iz
x2(i+ix*6*npts+iy*3*npts+iz*npts)=x2(i)-ix
y2(i+ix*6*npts+iy*3*npts+iz*npts)=y2(i)-iy
z2(i+ix*6*npts+iy*3*npts+iz*npts)=z2(i)-iz
x3(i+ix*6*npts+iy*3*npts+iz*npts)=x3(i)-ix
y3(i+ix*6*npts+iy*3*npts+iz*npts)=y3(i)-iy
z3(i+ix*6*npts+iy*3*npts+iz*npts)=z3(i)-iz
45 continue
C determine which molecules should be sliced off in [111]
do i=1,npts*12
remflag(i)=0
C check the cell in direction of equation 1: -2x+y+z=1
xyz=-x1(i)-x1(i)+y1(i)+z1(i)
c correct computational error
if(abs(xyz-dnint(xyz)).lt.1d-10) xyz=dnint(xyz)
if(xyz.GT.1.D0) remflag(i)=1