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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5860 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2011-03-28 14:39:41 +00:00
parent 8cb9845237
commit 72fbf1b5f5
2 changed files with 24 additions and 26 deletions
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25
doc/fix_langevin.html
View File

@ -34,7 +34,7 @@
<I>tally</I> values = <I>no</I> or <I>yes</I>
<I>no</I> = do not tally the energy added/subtracted to atoms
<I>yes</I> = do tally the energy added/subtracted to atoms
<I>zerosum</I> values = <I>no</I> or <I>yes</I>
<I>zero</I> values = <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>
@ -156,16 +156,15 @@ the particles. As described below, this energy can then be printed
out or added to the potential energy of the system to monitor energy
conservation.
</P>
<P>The keyword <I>zerosum</I> can be used to eliminate drift due to the
thermostat. Because the random forces on
different atoms are independent, they
do not sum exactly to zero. As a result, this fix applies a
small random force to the entire system, and the center-of-mass
of the system undergoes a slow random walk. If the keyword <I>zerosum</I>
is set to <I>yes</I>, the total random force is set exactly to zero
by subtracting off an equal part of it from each atom in the group.
As a result, the center-of-mass of a system with zero initial momentum
will not drift over time.
<P>The keyword <I>zero</I> can be used to eliminate drift due to the
thermostat. Because the random forces on different atoms are
independent, they do not sum exactly to zero. As a result, this fix
applies a small random force to the entire system, and the
center-of-mass of the system undergoes a slow random walk. If the
keyword <I>zerosum</I> is set to <I>yes</I>, the total random force is set
exactly to zero by subtracting off an equal part of it from each atom
in the group. As a result, the center-of-mass of a system with zero
initial momentum will not drift over time.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
@ -210,8 +209,8 @@ dpd/tstat</A>
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are scale = 1.0 for all types, tally = no,
zerosum = yes.
<P>The option defaults are scale = 1.0 for all types, tally = no, zero =
yes.
</P>
<HR>

25
doc/fix_langevin.txt
View File

@ -25,7 +25,7 @@ keyword = {scale} or {tally}
{tally} values = {no} or {yes}
{no} = do not tally the energy added/subtracted to atoms
{yes} = do tally the energy added/subtracted to atoms
{zerosum} values = {no} or {yes}
{zero} values = {no} or {yes}
{no} = do not set total random force to zero
{yes} = set total random force to zero :pre
:ule
@ -146,16 +146,15 @@ the particles. As described below, this energy can then be printed
out or added to the potential energy of the system to monitor energy
conservation.
The keyword {zerosum} can be used to eliminate drift due to the
thermostat. Because the random forces on
different atoms are independent, they
do not sum exactly to zero. As a result, this fix applies a
small random force to the entire system, and the center-of-mass
of the system undergoes a slow random walk. If the keyword {zerosum}
is set to {yes}, the total random force is set exactly to zero
by subtracting off an equal part of it from each atom in the group.
As a result, the center-of-mass of a system with zero initial momentum
will not drift over time.
The keyword {zero} can be used to eliminate drift due to the
thermostat. Because the random forces on different atoms are
independent, they do not sum exactly to zero. As a result, this fix
applies a small random force to the entire system, and the
center-of-mass of the system undergoes a slow random walk. If the
keyword {zerosum} is set to {yes}, the total random force is set
exactly to zero by subtracting off an equal part of it from each atom
in the group. As a result, the center-of-mass of a system with zero
initial momentum will not drift over time.
[Restart, fix_modify, output, run start/stop, minimize info:]
@ -200,8 +199,8 @@ dpd/tstat"_pair_dpd.html
[Default:]
The option defaults are scale = 1.0 for all types, tally = no,
zerosum = yes.
The option defaults are scale = 1.0 for all types, tally = no, zero =
yes.
:line