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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3050 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2009-08-11 23:10:03 +00:00
parent ee24560ab6
commit abe982223f
1 changed files with 2 additions and 1 deletions
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3
src/fix_rdf.cpp
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@ -283,7 +283,8 @@ void FixRDF::end_of_step()
nideal = constant*nrdfatoms[j] *
(rupper*rupper*rupper - rlower*rlower*rlower);
irdf = rdfpair[i][j] - 1;
gr = hist_all[irdf][bin] / (nrdfatoms[i]*nideal);
if (nrdfatoms[i]*nideal != 0.0) gr = hist_all[irdf][bin] / (nrdfatoms[i]*nideal);
else gr = 0.0;
ncoord[irdf] += gr*nideal;
fprintf(fp,"%f %f ",gr,ncoord[irdf]);
gr_ave[irdf][bin] =