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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7449 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-01-06 18:33:30 +00:00
parent 43b81297d7
commit 1081c8062b
2 changed files with 9 additions and 2 deletions
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6
doc/fix_langevin_eff.html
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@ -27,7 +27,7 @@
<LI>zero or more keyword/value pairs may be appended <LI>zero or more keyword/value pairs may be appended
<PRE>keyword = <I>scale</I> or <I>tally</I> <PRE>keyword = <I>scale</I> or <I>tally</I> or <I>zero</I>
<I>scale</I> values = type ratio <I>scale</I> values = type ratio
type = atom type (1-N) type = atom type (1-N)
ratio = factor by which to scale the damping coefficient ratio = factor by which to scale the damping coefficient
@ -35,6 +35,10 @@
<I>no</I> = do not tally the energy added/subtracted to atoms <I>no</I> = do not tally the energy added/subtracted to atoms
<I>yes</I> = do tally the energy added/subtracted to atoms <I>yes</I> = do tally the energy added/subtracted to atoms
</PRE> </PRE>
<PRE> <I>zero</I> value = <I>no</I> or <I>yes</I>
<I>no</I> = do not set total random force to zero
<I>yes</I> = set total random force to zero
</PRE>
</UL> </UL>
<P><B>Examples:</B> <P><B>Examples:</B>

5
doc/fix_langevin_eff.txt
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@ -18,13 +18,16 @@ Tstart,Tstop = desired temperature at start/end of run (temperature units) :l
damp = damping parameter (time units) :l damp = damping parameter (time units) :l
seed = random number seed to use for white noise (positive integer) :l seed = random number seed to use for white noise (positive integer) :l
zero or more keyword/value pairs may be appended :l zero or more keyword/value pairs may be appended :l
keyword = {scale} or {tally} keyword = {scale} or {tally} or {zero}
{scale} values = type ratio {scale} values = type ratio
type = atom type (1-N) type = atom type (1-N)
ratio = factor by which to scale the damping coefficient ratio = factor by which to scale the damping coefficient
{tally} values = {no} or {yes} {tally} values = {no} or {yes}
{no} = do not tally the energy added/subtracted to atoms {no} = do not tally the energy added/subtracted to atoms
{yes} = do tally the energy added/subtracted to atoms :pre {yes} = do tally the energy added/subtracted to atoms :pre
{zero} value = {no} or {yes}
{no} = do not set total random force to zero
{yes} = set total random force to zero :pre
:ule :ule
[Examples:] [Examples:]