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Added explanation of parallel molecule support

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This commit is contained in:
Aidan Thompson
2022-03-03 18:21:30 -07:00
parent 91f6805821
commit 73e38014f2
1 changed files with 8 additions and 1 deletions
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9
doc/src/fix_gcmc.rst
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@ -444,8 +444,15 @@ doc page for more info.
Do not set "neigh_modify once yes" or else this fix will never be
called. Reneighboring is required.
Only usable for 3D simulations.
Can be run in parallel, but aspects of the GCMC part will not scale
well in parallel. Only usable for 3D simulations.
well in parallel. Currently, molecule translations and rotations
are not supported with more than one MPI process.
It is still possible to do parallel molecule exchange without
translation and rotation moves by setting MC moves to zero
and/or by using mcmoves keyword with *Pmoltrans*=*Pmolrotate*=0.
When using fix gcmc in combination with fix shake or fix rigid,
only GCMC exchange moves are supported, so the argument