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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1444 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-01-31 18:14:21 +00:00
parent b2ed4d133f
commit 04b9d5ebc2
4 changed files with 26 additions and 6 deletions
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10
doc/Section_errors.html
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@ -3587,6 +3587,11 @@ read_restart, or create_box command.
</H4>
<DL>
<DT><I>Dihedral problem: %d %d %d %d %d %d</I>
<DD>Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry.
<DT><I>Dump dcd/xtc timestamp may be wrong with fix dt/reset</I>
<DD>If the fix changes the timestep, the dump dcd file will not
@ -3619,6 +3624,11 @@ the other fixes have made their adjustments.
computes a temperature on a different group of atoms than the fix
itself operates on. This is probably not what you want to do.
<DT><I>Improper problem: %d %d %d %d %d %d</I>
<DD>Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.
<DT><I>Less insertions than requested</I>
<DD>Less atom insertions occurred on this timestep due to the fix insert

10
doc/Section_errors.txt
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@ -3584,6 +3584,11 @@ Warnings: :h4,link(warn)
:dlb
{Dihedral problem: %d %d %d %d %d %d} :dt
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
{Dump dcd/xtc timestamp may be wrong with fix dt/reset} :dt
If the fix changes the timestep, the dump dcd file will not
@ -3616,6 +3621,11 @@ The fix_modify command is specifying a temperature computation that
computes a temperature on a different group of atoms than the fix
itself operates on. This is probably not what you want to do. :dd
{Improper problem: %d %d %d %d %d %d} :dt
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
{Less insertions than requested} :dt
Less atom insertions occurred on this timestep due to the fix insert

6
doc/angle_class2.html
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@ -37,11 +37,11 @@ the input script or data file. These are the 4 coefficients:
</P>
<UL><LI>theta0 (degrees)
<LI>K2 (energy/radian^2)
<LI>K3 (energy/radian^2)
<LI>K4 (energy/radian^2)
<LI>K3 (energy/radian^3)
<LI>K4 (energy/radian^4)
</UL>
<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of K are in energy/radian^2.
internally; hence the units of the various K are in per-radian.
</P>
<P>Coefficients for the Ebb and Eba formulas can only be specified in the
data file.

6
doc/angle_class2.txt
View File

@ -34,11 +34,11 @@ the input script or data file. These are the 4 coefficients:
theta0 (degrees)
K2 (energy/radian^2)
K3 (energy/radian^2)
K4 (energy/radian^2) :ul
K3 (energy/radian^3)
K4 (energy/radian^4) :ul
Theta0 is specified in degrees, but LAMMPS converts it to radians
internally; hence the units of K are in energy/radian^2.
internally; hence the units of the various K are in per-radian.
Coefficients for the Ebb and Eba formulas can only be specified in the
data file.