Updated full_energy description (b2b721f5) · Commits · 郑智淋 / lammps

doc/fix_gcmc.html

+6 −1

Original line number	Diff line number	Diff line
		@@ -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>

+6 −1

Original line number	Diff line number	Diff line
		@@ -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