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Updated full_energy description 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2015-05-18 16:10:20 +00:00
parent bff094784d
commit b2b721f5fb
2 changed files with 12 additions and 2 deletions
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7
doc/fix_gcmc.html
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@ -206,6 +206,9 @@ potential energy calculations, including the following:
<LI> triclinic systems
<LI> need to include potential energy contributions from other fixes
</UL>
<P>In these cases, LAMMPS will automatically apply the <I>full_energy</I>
keyword and issue a warning message.
</P>
<P>When the <I>mol</I> keyword is used, the <I>full_energy</I> option also includes
the intramolecular energy of inserted and deleted molecules. If this
is not desired, the <I>intra_energy</I> keyword can be used to define an
@ -317,7 +320,9 @@ referenced by the user for each subsequent fix gcmc command.
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are mol = no, maxangle = 10, full_energy = no.
<P>The option defaults are mol = no, maxangle = 10, full_energy = no,
except for the situations where full_energy is required, as
listed above.
</P>
<HR>

7
doc/fix_gcmc.txt
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@ -191,6 +191,9 @@ potential energy calculations, including the following:
triclinic systems
need to include potential energy contributions from other fixes :ul
In these cases, LAMMPS will automatically apply the {full_energy}
keyword and issue a warning message.
When the {mol} keyword is used, the {full_energy} option also includes
the intramolecular energy of inserted and deleted molecules. If this
is not desired, the {intra_energy} keyword can be used to define an
@ -302,7 +305,9 @@ referenced by the user for each subsequent fix gcmc command.
[Default:]
The option defaults are mol = no, maxangle = 10, full_energy = no.
The option defaults are mol = no, maxangle = 10, full_energy = no,
except for the situations where full_energy is required, as
listed above.
:line