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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12945 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-01-17 00:48:58 +00:00
parent bed966d556
commit cd870f61dd
6 changed files with 20 additions and 20 deletions
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6
doc/compute_displace_atom.html
View File

@ -56,9 +56,9 @@ containing coordinates of the atoms in the bodies.
<P>IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a <A HREF = "read_restart.html">restart file</A>,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom coordinates from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom coordinates from the restart file.
</P>
<P><B>Output info:</B>
</P>

6
doc/compute_displace_atom.txt
View File

@ -53,9 +53,9 @@ containing coordinates of the atoms in the bodies.
IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a "restart file"_read_restart.html,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom coordinates from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom coordinates from the restart file.
[Output info:]

8
doc/compute_msd.html
View File

@ -54,7 +54,7 @@ the compute command was issued. The value of the displacement will be
0.0 for atoms not in the specified compute group.
</P>
<P>If the <I>com</I> option is set to <I>yes</I> then the effect of any drift in
the center-of-mass of the group of atoms is subtracted out before the
the center-of-mass of the group of atoms is subtracted out before xhe
displacment of each atom is calcluated.
</P>
<P>IMPORTANT NOTE: Initial coordinates are stored in "unwrapped" form, by
@ -76,9 +76,9 @@ coordinates of the atoms in the bodies.
<P>IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a <A HREF = "read_restart.html">restart file</A>,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom coordinates from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom coordinates from the restart file.
</P>
<P><B>Output info:</B>
</P>

8
doc/compute_msd.txt
View File

@ -46,7 +46,7 @@ the compute command was issued. The value of the displacement will be
0.0 for atoms not in the specified compute group.
If the {com} option is set to {yes} then the effect of any drift in
the center-of-mass of the group of atoms is subtracted out before the
the center-of-mass of the group of atoms is subtracted out before xhe
displacment of each atom is calcluated.
IMPORTANT NOTE: Initial coordinates are stored in "unwrapped" form, by
@ -68,9 +68,9 @@ coordinates of the atoms in the bodies.
IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a "restart file"_read_restart.html,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom coordinates from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom coordinates from the restart file.
[Output info:]

6
doc/compute_vacf.html
View File

@ -50,9 +50,9 @@ thermo_style custom step v_diff
<P>IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a <A HREF = "read_restart.html">restart file</A>,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom velocities from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom velocities from the restart file.
</P>
<P><B>Output info:</B>
</P>

6
doc/compute_vacf.txt
View File

@ -47,9 +47,9 @@ thermo_style custom step v_diff :pre
IMPORTANT NOTE: If you want the quantities calculated by this compute
to be continuous when running from a "restart file"_read_restart.html,
then you should use the same ID for this compute, as in the original
run. This is so that the created fix will also have the same ID, and
thus be initialized correctly with atom velocities from the restart
file.
run. This is so that the fix this compute creates to store per-atom
quantities will also have the same ID, and thus be initialized
correctly with time=0 atom velocities from the restart file.
[Output info:]