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9
doc/pair_comb.html
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@ -94,7 +94,7 @@ all currently-available 2nd generation COMB parameterizations: for Si,
Cu, Hf, Ti, O, their oxides and Zr, Zn and U metals. For style
<I>comb3</I>, the potential file <I>ffield.comb3</I> contains all
currently-available 3rd generation COMB paramterizations: O, Cu, N, C,
H, Ti and Zn. The status of the optimization of the compounds, for
H, Ti, Zn and Zr. The status of the optimization of the compounds, for
example Cu<sub>2</sub>O, TiN and hydrocarbons, are given in the
following table:
</P>
@ -182,13 +182,14 @@ doesn't use "metal" units.
<A NAME = "COMB"></A>
<P><B>(COMB)</B> S. R. Phillpot and S. B. Sinnott, Science 325, 1634-1635 (2009)
<P><B>(COMB)</B> T.-R. Shan, B. D. Devine, T. W. Kemper, S. B. Sinnott, and
S. R. Phillpot, Phys. Rev. B 81, 125328 (2010)
</P>
<A NAME = "COMB3"></A>
<P><B>(COMB3)</B> T. Liang, T.-R. Shan, Y.-T. Cheng, B. D. Devine, M. Noordhoek,
Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R,
in press (DOI: 10.1016/j.mser.2013.07.001)
Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74,
255-279 (2013).
</P>
<A NAME = "Rick"></A>

9
doc/pair_comb.txt
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@ -87,7 +87,7 @@ all currently-available 2nd generation COMB parameterizations: for Si,
Cu, Hf, Ti, O, their oxides and Zr, Zn and U metals. For style
{comb3}, the potential file {ffield.comb3} contains all
currently-available 3rd generation COMB paramterizations: O, Cu, N, C,
H, Ti and Zn. The status of the optimization of the compounds, for
H, Ti, Zn and Zr. The status of the optimization of the compounds, for
example Cu<sub>2</sub>O, TiN and hydrocarbons, are given in the
following table:
@ -174,12 +174,13 @@ doesn't use "metal" units.
:line
:link(COMB)
[(COMB)] S. R. Phillpot and S. B. Sinnott, Science 325, 1634-1635 (2009)
[(COMB)] T.-R. Shan, B. D. Devine, T. W. Kemper, S. B. Sinnott, and
S. R. Phillpot, Phys. Rev. B 81, 125328 (2010)
:link(COMB3)
[(COMB3)] T. Liang, T.-R. Shan, Y.-T. Cheng, B. D. Devine, M. Noordhoek,
Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R,
in press (DOI: 10.1016/j.mser.2013.07.001)
Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74,
255-279 (2013).
:link(Rick)
[(Rick)] S. W. Rick, S. J. Stuart, B. J. Berne, J Chem Phys 101, 6141