Difference between revisions of "Tau p"
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Miguel Caro (talk | contribs) m |
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| Any positive real | | Any positive real | ||
| 100. | | 100. | ||
| − | | <code>[[barostat]]</code>, <code>[[p_beg]]</code>, <code>[[ | + | | <code>[[barostat]]</code>, <code>[[p_beg]]</code>, <code>[[p_end]]</code>, <code>[[gamma_p]]</code> |
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Latest revision as of 07:41, 30 July 2021
tau_p sets the time coupling constant, in fs, for the barostat. Note that for barostating one also needs to define a compressibility scale through gamma_p.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional | Real | Any positive real | 100. | barostat, p_beg, p_end, gamma_p
|
Example
barostat = "berendsen" barostat_sym = "iso" p_beg = 10. # in bar p_end = 10. # in bar tau_p = 100. # in fs gamma_p = 10. # in units of the inverse compressibility of water
