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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9149 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi 2012-12-10 19:55:25 +00:00
parent bc70568865
commit 6c074e8c7e
2 changed files with 14 additions and 0 deletions
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7
doc/fix_gcmc.html
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@ -224,6 +224,13 @@ trigger an error, so it is better to run multiple shorter-duration
simulations. Likewise, very large molecules have not been tested
and may turn out to be problematic.
</P>
<P>Use of multiple fix gcmc commands in the same input script can be
problematic if using a template molecule. The issue is that the
user-referenced template molecule in the second fix gcmc command
may no longer exist since it might have been deleted by the first
fix gcmc command. An existing template molecule will need to be
referenced by the user for each subsequent fix gcmc command.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "fix_nvt.html">fix_nvt</A>, <A HREF = "neighbor.html">neighbor</A>,

7
doc/fix_gcmc.txt
View File

@ -208,6 +208,13 @@ trigger an error, so it is better to run multiple shorter-duration
simulations. Likewise, very large molecules have not been tested
and may turn out to be problematic.
Use of multiple fix gcmc commands in the same input script can be
problematic if using a template molecule. The issue is that the
user-referenced template molecule in the second fix gcmc command
may no longer exist since it might have been deleted by the first
fix gcmc command. An existing template molecule will need to be
referenced by the user for each subsequent fix gcmc command.
[Related commands:]
"fix_nvt"_fix_nvt.html, "neighbor"_neighbor.html,