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

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:<math>\dot{\overline{\mathbf {h}}} =  \frac{\overline{\mathbf {p}}_g {\overline{\mathbf {h}}} }{W_g}</math>
:<math>\dot{\overline{\mathbf {h}}} =  \frac{\overline{\mathbf {p}}_g {\overline{\mathbf {h}}} }{W_g}</math>
:<math> \dot{\overline{\mathbf {p}}}_g = V \left({\overline{\mathbf {p}}}_{\mathrm {int}}  - {\overline{\mathbf {I}}} P_{\mathrm {ext}} \right) + \left[ \frac{1}{N_f}  \sum_{i=1}^N  \frac{{\mathbf {p}}_i^2 }{m_i}  \right] {\overline{\mathbf {I}}}  - \frac{p_{\xi}}{Q}{\overline{\mathbf {p}}}_g</math>
:<math>\dot\xi= \frac{p_{\xi}}{Q}</math>
:<math>\dot p_{\xi} =  \sum_{i=1}^N \frac{{\mathbf {p}}_i^2 }{m_i} + \frac{1}{W_g} \mathrm{Tr}\left[ {\overline{\mathbf {p}}}_g^t {\overline{\mathbf {p}}}_g \right] - (N_f + d^2) kT</math>
==References==
==References==
<references/>
<references/>
[[category: molecular dynamics]]
[[category: molecular dynamics]]

Latest revision as of 17:44, 31 January 2014

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

References[edit]