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

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:<math> \dot{\mathbf {r}}_i = \frac{{\mathbf {p}}_i}{m_i} + \frac{\overline{\mathbf {p}}_g}{W_g} {\mathbf {r}}_i </math>
:<math> \dot{\mathbf {r}}_i = \frac{{\mathbf {p}}_i}{m_i} + \frac{\overline{\mathbf {p}}_g}{W_g} {\mathbf {r}}_i </math>


:<math> \dot{\mathbf {p}}_i =  {\mathbf {F}}_i  - \frac{\overline{\mathbf {p}}_g}{W_g} {\mathbf {p}}_i - \left(\frac{1}{N_f}\right)  \frac{\mathrm{Tr}[ \overline{\mathbf {p}}_g ]}{W_g} - \frac{p_{\xi}}{Q} {\mathbf {p}}_i</math>
==References==
==References==
<references/>
<references/>
[[category: molecular dynamics]]
[[category: molecular dynamics]]

Revision as of 17:28, 31 January 2014

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

References