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add missing table

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Axel Kohlmeyer 2020-02-24 17:03:06 -05:00
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doc/src/pair_comb.rst
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@ -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