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Add max/min changes to documentation

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This commit is contained in:
Jared Wood
2019-11-08 12:59:39 +11:00
parent e926c16544
commit ce6893e717
1 changed files with 8 additions and 0 deletions
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doc/src/fix_gcmc.rst
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@ -51,6 +51,8 @@ Syntax
*intra_energy* value = intramolecular energy (energy units)
*tfac_insert* value = scale up/down temperature of inserted atoms (unitless)
*overlap_cutoff* value = maximum pair distance for overlap rejection (distance units)
*max* value = Maximum number of molecules allowed in the system
*min* value = Minimum number of molecules allowed in the system
@ -385,6 +387,12 @@ assigning an infinite positive energy to all new configurations that
place any pair of atoms closer than the specified overlap cutoff
distance.
The *max* and *min* keywords allow for the restriction of the number
of atoms in the simulation. They automatically reject all insertion
or deletion moves that would take the system beyond the set boundaries.
Should the system already be beyond the boundary, only moves that bring
the system closer to the bounds may be accepted.
The *group* keyword adds all inserted atoms to the
:doc:`group <group>` of the group-ID value. The *grouptype* keyword
adds all inserted atoms of the specified type to the