add missing table (003ef9d9) · Commits · 郑智淋 / lammps

doc/src/pair_comb.rst

+23 −2

Original line number	Diff line number	Diff line
		@@ -105,9 +105,30 @@ H, Ti, Zn and Zr. The status of the optimization of the compounds, for
		example Cu2O, TiN and hydrocarbons, are given in the
		following table:

		.. math::
		+----+----+----+----+----+----+----+----+----+
		\| \| O \| Cu \| N \| C \| H \| Ti \| Zn \| Zr \|
		+----+----+----+----+----+----+----+----+----+
		\| O \| F \| F \| F \| F \| F \| F \| F \| F \|
		+----+----+----+----+----+----+----+----+----+
		\| Cu \| F \| F \| P \| F \| F \| P \| F \| P \|
		+----+----+----+----+----+----+----+----+----+
		\| N \| F \| P \| F \| M \| F \| P \| P \| P \|
		+----+----+----+----+----+----+----+----+----+
		\| C \| F \| F \| M \| F \| F \| M \| M \| M \|
		+----+----+----+----+----+----+----+----+----+
		\| H \| F \| F \| F \| F \| F \| M \| M \| F \|
		+----+----+----+----+----+----+----+----+----+
		\| Ti \| F \| P \| P \| M \| M \| F \| P \| P \|
		+----+----+----+----+----+----+----+----+----+
		\| Zn \| F \| F \| P \| M \| M \| P \| F \| P \|
		+----+----+----+----+----+----+----+----+----+
		\| Zr \| F \| P \| P \| M \| F \| P \| P \| F \|
		+----+----+----+----+----+----+----+----+----+

		* F = Fully optimized
		* M = Only optimized for dimer molecule
		* P = in progress, but have it from mixing rule

		:align: center

		For style comb3\ , in addition to ffield.comb3, a special parameter
		file, lib.comb3\ , that is exclusively used for C/O/H systems, will be