git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2006-12-15 22:53:57 +00:00
parent eaddb7a95a
commit d99ec65f8c
6 changed files with 30 additions and 26 deletions

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@ -156,13 +156,10 @@ initial snapshot from an XYZ formatted file to get started.
</P>
<HR>
<P>Dumps are performed on timesteps that are a multiple of N and on the
first step of a run or minimization, excluding duplicate timesteps. A
dump is not performed on the last timestep of a run unless it is a
multiple of N. A dump is performed on the last timestep of a
minimization if the minimization converges. N can be changed between
runs by using the <A HREF = "dump_modify.html">dump_modify</A> command (not allowed
for <I>dcd</I> style).
<P>Dumps are performed on timesteps that are a multiple of N (including
timestep 0) and on the last timestep of a minimization if the
minimization converges. N can be changed between runs by using the
<A HREF = "dump_modify.html">dump_modify</A> command (not allowed for <I>dcd</I> style).
</P>
<P>The specified filename determines how the dump file(s) is written.
The default is to write one large text file, which is opened when the

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@ -146,13 +146,10 @@ initial snapshot from an XYZ formatted file to get started.
:line
Dumps are performed on timesteps that are a multiple of N and on the
first step of a run or minimization, excluding duplicate timesteps. A
dump is not performed on the last timestep of a run unless it is a
multiple of N. A dump is performed on the last timestep of a
minimization if the minimization converges. N can be changed between
runs by using the "dump_modify"_dump_modify.html command (not allowed
for {dcd} style).
Dumps are performed on timesteps that are a multiple of N (including
timestep 0) and on the last timestep of a minimization if the
minimization converges. N can be changed between runs by using the
"dump_modify"_dump_modify.html command (not allowed for {dcd} style).
The specified filename determines how the dump file(s) is written.
The default is to write one large text file, which is opened when the

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@ -45,10 +45,6 @@ setforce</A> page for information on style <I>setforce</I>.
If 2 or more fixes both operate at the same stage of the timestep,
they are invoked in the order they were specified in the input script.
</P>
<P>Specifying a new fix with the same ID as an existing fix effectively
replaces the old fix (and its parameters) with the new fix. This can
only be done if the new fix has the same style as the existing fix.
</P>
<P>Fixes can be deleted with the <A HREF = "unfix.html">unfix</A> command. Note that
this is the only way to turn off a fix; simply specifying a new fix
with a similar style will not turn off the first one. For example,
@ -57,6 +53,14 @@ command for the first run, will not cancel out the NVT time
integration invoked by the "fix nvt" command. Thus two time
integrators would be in place!
</P>
<P>If you specify a new fix with the same ID and style as an existing
fix, the old fix is deleted and the new one is created (presumably
with new settings). This is the same as if an "unfix" command were
first performed on the old fix, except that the new fix is kept in the
same order relative to the existing fixes as the old one originally
was. Note that this operation also wipes out any additional changes
made to the old fix via the <A HREF = "fix_modify.html">fix_modify</A> command.
</P>
<P>Here is an alphabetic list of fix styles defined in LAMMPS:
</P>
<UL><LI><A HREF = "fix_addforce.html">fix addforce</A> - add a force to each atom

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@ -42,10 +42,6 @@ Fixes perform their operations at different stages of the timestep.
If 2 or more fixes both operate at the same stage of the timestep,
they are invoked in the order they were specified in the input script.
Specifying a new fix with the same ID as an existing fix effectively
replaces the old fix (and its parameters) with the new fix. This can
only be done if the new fix has the same style as the existing fix.
Fixes can be deleted with the "unfix"_unfix.html command. Note that
this is the only way to turn off a fix; simply specifying a new fix
with a similar style will not turn off the first one. For example,
@ -54,6 +50,14 @@ command for the first run, will not cancel out the NVT time
integration invoked by the "fix nvt" command. Thus two time
integrators would be in place!
If you specify a new fix with the same ID and style as an existing
fix, the old fix is deleted and the new one is created (presumably
with new settings). This is the same as if an "unfix" command were
first performed on the old fix, except that the new fix is kept in the
same order relative to the existing fixes as the old one originally
was. Note that this operation also wipes out any additional changes
made to the old fix via the "fix_modify"_fix_modify.html command.
Here is an alphabetic list of fix styles defined in LAMMPS:
"fix addforce"_fix_addforce.html - add a force to each atom

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@ -24,8 +24,9 @@ unfix lower-boundary
</PRE>
<P><B>Description:</B>
</P>
<P>Turn off a fix that was previously defined with a <A HREF = "fix.html">fix</A>
command.
<P>Delete a fix that was previously defined with a <A HREF = "fix.html">fix</A>
command. This also wipes out any additional changes made to the fix
via the <A HREF = "fix_modify.html">fix_modify</A> command.
</P>
<P><B>Restrictions:</B> none
</P>

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@ -21,8 +21,9 @@ unfix lower-boundary :pre
[Description:]
Turn off a fix that was previously defined with a "fix"_fix.html
command.
Delete a fix that was previously defined with a "fix"_fix.html
command. This also wipes out any additional changes made to the fix
via the "fix_modify"_fix_modify.html command.
[Restrictions:] none