Difference between revisions of "Tau p"
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Miguel Caro (talk | contribs) (Created page with "<code>tau_p_beg</code> sets the time coupling constant, in fs, for the barostat. Note that for barostating one also needs to define a compressibility scale through <code>[...") |
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| − | <code> | + | <code>tau_p</code> sets the time coupling constant, in fs, for the [[barostat]]. Note that for barostating one also needs to define a compressibility scale through <code>[[gamma_p]]</code>. |
=== Summary === | === Summary === | ||
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, tau_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
