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some corrections to the documentation

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Axel Kohlmeyer 2020-01-12 13:55:39 -05:00
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14
doc/src/fix_npt_cauchy.txt
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@ -15,7 +15,7 @@ fix ID group-ID style_name keyword value ... :pre
ID, group-ID are documented in "fix"_fix.html command :ulb,l
style_name = {npt/cauchy} :l
one or more keyword/value pairs may be appended :l
keyword = {temp} or {iso} or {aniso} or {tri} or {x} or {y} or {z} or {xy} or {yz} or {xz} or {couple} or {tchain} or {pchain} or {mtk} or {tloop} or {ploop} or {nreset} or {drag} or {dilate} or {scalexy} or {scaleyz} or {scalexz} or {flip} or {fixedpoint} or {update}
keyword = {temp} or {iso} or {aniso} or {tri} or {x} or {y} or {z} or {xy} or {yz} or {xz} or {couple} or {tchain} or {pchain} or {mtk} or {tloop} or {ploop} or {nreset} or {drag} or {dilate} or {scalexy} or {scaleyz} or {scalexz} or {flip} or {fixedpoint} or {update} :l
{temp} values = Tstart Tstop Tdamp
Tstart,Tstop = external temperature at start/end of run
Tdamp = temperature damping parameter (time units)
@ -48,7 +48,7 @@ keyword = {temp} or {iso} or {aniso} or {tri} or {x} or {y} or {z} or {xy} or {y
alpha = strength of Cauchystat control parameter
continue = {yes} or {no} = whether of not to continue from a previous run
{fixedpoint} values = x y z
x,y,z = perform barostat dilation/contraction around this point (distance units)
x,y,z = perform barostat dilation/contraction around this point (distance units) :pre
:ule
[Examples:]
@ -594,19 +594,19 @@ not coupled to barostat, otherwise no.
:line
:link(nh-Martyna)
:link(nc-Martyna)
[(Martyna)] Martyna, Tobias and Klein, J Chem Phys, 101, 4177 (1994).
:link(nh-Parrinello)
:link(nc-Parrinello)
[(Parrinello)] Parrinello and Rahman, J Appl Phys, 52, 7182 (1981).
:link(nh-Tuckerman)
:link(nc-Tuckerman)
[(Tuckerman)] Tuckerman, Alejandre, Lopez-Rendon, Jochim, and
Martyna, J Phys A: Math Gen, 39, 5629 (2006).
:link(nh-Shinoda)
:link(nc-Shinoda)
[(Shinoda)] Shinoda, Shiga, and Mikami, Phys Rev B, 69, 134103 (2004).
:link(nh-Miller)
:link(nc-Miller)
[(Miller)] Miller, Tadmor, Gibson, Bernstein and Pavia, J Chem Phys,
144, 184107 (2016).