forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@197 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
eaddb7a95a
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@ -156,13 +156,10 @@ initial snapshot from an XYZ formatted file to get started.
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</P>
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<HR>
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<P>Dumps are performed on timesteps that are a multiple of N and on the
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first step of a run or minimization, excluding duplicate timesteps. A
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dump is not performed on the last timestep of a run unless it is a
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multiple of N. A dump is performed on the last timestep of a
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minimization if the minimization converges. N can be changed between
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runs by using the <A HREF = "dump_modify.html">dump_modify</A> command (not allowed
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for <I>dcd</I> style).
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<P>Dumps are performed on timesteps that are a multiple of N (including
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timestep 0) and on the last timestep of a minimization if the
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minimization converges. N can be changed between runs by using the
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<A HREF = "dump_modify.html">dump_modify</A> command (not allowed for <I>dcd</I> style).
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</P>
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<P>The specified filename determines how the dump file(s) is written.
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The default is to write one large text file, which is opened when the
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11
doc/dump.txt
11
doc/dump.txt
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@ -146,13 +146,10 @@ initial snapshot from an XYZ formatted file to get started.
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:line
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Dumps are performed on timesteps that are a multiple of N and on the
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first step of a run or minimization, excluding duplicate timesteps. A
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dump is not performed on the last timestep of a run unless it is a
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multiple of N. A dump is performed on the last timestep of a
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minimization if the minimization converges. N can be changed between
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runs by using the "dump_modify"_dump_modify.html command (not allowed
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for {dcd} style).
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Dumps are performed on timesteps that are a multiple of N (including
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timestep 0) and on the last timestep of a minimization if the
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minimization converges. N can be changed between runs by using the
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"dump_modify"_dump_modify.html command (not allowed for {dcd} style).
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The specified filename determines how the dump file(s) is written.
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The default is to write one large text file, which is opened when the
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12
doc/fix.html
12
doc/fix.html
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@ -45,10 +45,6 @@ setforce</A> page for information on style <I>setforce</I>.
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If 2 or more fixes both operate at the same stage of the timestep,
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they are invoked in the order they were specified in the input script.
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</P>
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<P>Specifying a new fix with the same ID as an existing fix effectively
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replaces the old fix (and its parameters) with the new fix. This can
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only be done if the new fix has the same style as the existing fix.
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</P>
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<P>Fixes can be deleted with the <A HREF = "unfix.html">unfix</A> command. Note that
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this is the only way to turn off a fix; simply specifying a new fix
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with a similar style will not turn off the first one. For example,
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@ -57,6 +53,14 @@ command for the first run, will not cancel out the NVT time
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integration invoked by the "fix nvt" command. Thus two time
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integrators would be in place!
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</P>
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<P>If you specify a new fix with the same ID and style as an existing
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fix, the old fix is deleted and the new one is created (presumably
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with new settings). This is the same as if an "unfix" command were
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first performed on the old fix, except that the new fix is kept in the
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same order relative to the existing fixes as the old one originally
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was. Note that this operation also wipes out any additional changes
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made to the old fix via the <A HREF = "fix_modify.html">fix_modify</A> command.
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</P>
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<P>Here is an alphabetic list of fix styles defined in LAMMPS:
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</P>
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<UL><LI><A HREF = "fix_addforce.html">fix addforce</A> - add a force to each atom
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12
doc/fix.txt
12
doc/fix.txt
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@ -42,10 +42,6 @@ Fixes perform their operations at different stages of the timestep.
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If 2 or more fixes both operate at the same stage of the timestep,
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they are invoked in the order they were specified in the input script.
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Specifying a new fix with the same ID as an existing fix effectively
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replaces the old fix (and its parameters) with the new fix. This can
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only be done if the new fix has the same style as the existing fix.
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Fixes can be deleted with the "unfix"_unfix.html command. Note that
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this is the only way to turn off a fix; simply specifying a new fix
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with a similar style will not turn off the first one. For example,
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@ -54,6 +50,14 @@ command for the first run, will not cancel out the NVT time
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integration invoked by the "fix nvt" command. Thus two time
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integrators would be in place!
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If you specify a new fix with the same ID and style as an existing
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fix, the old fix is deleted and the new one is created (presumably
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with new settings). This is the same as if an "unfix" command were
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first performed on the old fix, except that the new fix is kept in the
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same order relative to the existing fixes as the old one originally
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was. Note that this operation also wipes out any additional changes
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made to the old fix via the "fix_modify"_fix_modify.html command.
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Here is an alphabetic list of fix styles defined in LAMMPS:
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"fix addforce"_fix_addforce.html - add a force to each atom
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@ -24,8 +24,9 @@ unfix lower-boundary
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Turn off a fix that was previously defined with a <A HREF = "fix.html">fix</A>
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command.
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<P>Delete a fix that was previously defined with a <A HREF = "fix.html">fix</A>
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command. This also wipes out any additional changes made to the fix
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via the <A HREF = "fix_modify.html">fix_modify</A> command.
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</P>
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<P><B>Restrictions:</B> none
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</P>
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@ -21,8 +21,9 @@ unfix lower-boundary :pre
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[Description:]
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Turn off a fix that was previously defined with a "fix"_fix.html
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command.
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Delete a fix that was previously defined with a "fix"_fix.html
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command. This also wipes out any additional changes made to the fix
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via the "fix_modify"_fix_modify.html command.
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[Restrictions:] none
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