jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11817 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-18 13:57:34 +00:00
parent 693e4e0e94
commit d46d8a7d9d
2 changed files with 10 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
doc/fix_gcmc.html
View File

@ -232,12 +232,11 @@ 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>Use of multiple fix gcmc commands in the same input using a template
molecule are not supported. There are multiple issues where the
current implmentation makes assumptions that are no longer valid
in this case. Resolving all of them require significant changes to
the implementation.
</P>
<P><B>Related commands:</B>
</P>

11
doc/fix_gcmc.txt
View File

@ -216,12 +216,11 @@ 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.
Use of multiple fix gcmc commands in the same input using a template
molecule are not supported. There are multiple issues where the
current implmentation makes assumptions that are no longer valid
in this case. Resolving all of them require significant changes to
the implementation.
[Related commands:]