Martyna-Tuckerman-Tobias-Klein barostat: Difference between revisions

Revision as of 17:21, 31 January 2014

Martyna-Tuckerman-Tobias-Klein barostat ^[1] ^[2] has the following equations of motion (Eq.13):

{\dot {\mathbf {r} }}_{i}={\frac {{\mathbf {p} }_{i}}{m_{i}}}+{\frac {{\overline {\mathbf {p} }}_{g}}{W_{g}}}{\mathbf {r} }_{i}

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 {{Stub-general}}
 '''Martyna-Tuckerman-Tobias-Klein barostat''' <ref>[http://dx.doi.org/10.1063/1.467468 Glenn J. Martyna, Douglas J. Tobias, and Michael L. Klein "Constant pressure molecular dynamics algorithms", Journal of Chemical Physics '''101''' pp. 4177-4189 (1994)]</ref>
-<ref>[http://dx.doi.org/10.1080/00268979600100761 G. J. Martyna, M. E.  Tuckerman, D. J. Tobias and M. L. Klein "Explicit reversible integrators for extended systems dynamics", Molecular Physics '''87''' pp. 1117-1157 (1996)]</ref>.
+<ref>[http://dx.doi.org/10.1080/00268979600100761 G. J. Martyna, M. E.  Tuckerman, D. J. Tobias and M. L. Klein "Explicit reversible integrators for extended systems dynamics", Molecular Physics '''87''' pp. 1117-1157 (1996)]</ref> has the following equations of motion (Eq.13):
+:<math> \dot{\mathbf {r}}_i = \frac{{\mathbf {p}}_i}{m_i} + \frac{\overline{\mathbf {p}}_g}{W_g} {\mathbf {r}}_i </math>
 ==References==
 <references/>
 [[category: molecular dynamics]]