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

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m (moved Martyna-Tuckerman-Klein barostat to Martyna-Tuckerman-Tobias-Klein barostat: Added Tobias as Douglas J. Tobias appears as a co-author.)
m (Started adding eq of motion)
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'''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>
'''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==
<references/>
<references/>
[[category: molecular dynamics]]
[[category: molecular dynamics]]

Revision as of 17:21, 31 January 2014

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

References