Page 349 - Handbook Of Multiphase Flow Assurance
P. 349
348 10. Research methods in flow assurance
var ring:array[1..ngrand,1..nmax]of
integer; {array of ring atoms numbers}
i,j,jc,k,l,m,m1,m2, {counter variable}
itime,ntime,nequil, {timestep}
n, {number of H bonded oxygens}
natom, {largest number of the atom}
nbond, {number of studied bond}
npass, {number of PBC penetrations for ring}
npass1, {plane of 1st PBC penetration}
npass2, {plane of 2nd PBC penetration}
nr, {counter of links in tempor. chain}
nnext, {number of next search O}
dist, {distance between points in ring}
ntot:integer; {counter of rings found}
rin, {temporary ring array}
rdist:array[1..nmax]of integer; {ring size histogram array}
nhb:array[1..ngrand,1..2]of integer; {list of H bonds}
bonds:array[1..nmax]of integer; {list of bond numbers for temp. ring}
order:array[1..ngrand]of integer;{order of connectivity for members}
pass:array[1..ngrand]of integer; {bond across periodic boundary}
rinm:array[1..nmax]of integer; {next-pointer for current link}
rinn:array[1..nmax]of boolean; {next-ptrs for bonds in temp.ring}
closed, {indicator of ring closure}
contin, {use same bond to seek other rings}
short, {indicator of short circuited ring}
nothere, {atom not in ring,also dummy in CleanUp}
found, {found next link}
npb, {1st penetration of PBC occurred}
deadend1,deadend2:boolean; {indicators of unconnected bond}
f,f1,f2:text; {data file variables}
ttyin, ttyout:text; {terminal input/output}
{variables used in CheckShort procedure}
is,js,ks, {counters}
ns, {number of links found}
nstart, {number of starting bonds}
snext, {number of point to search}
start,finish, {short path terminals}
ps, {position of start}
pf, {position of finish}
start1,start2 {ring neighbors of start}
:integer;
sbond:array[1..100] of integer; {list of start bonds, 100 is arbitrary}