jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2363 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-01-09 18:20:01 +00:00
parent b698d94df8
commit d2dd4068b6
1 changed files with 38 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

38
doc/Section_errors.html
View File

@ -1804,14 +1804,26 @@ requesting the values on a non-allowed timestep.
<DD>The time window for temperature or pressure relaxation must be > 0
<DT><I>Fix npt/asphere requires atom attributes quat, angmom, torque, shape</I>
<DD>An atom style that specifies these quantities is needed.
<DT><I>Fix npt/sphere requires atom attribute shape</I>
<DD>An atom style that specifies atom shape is needed.
<DT><I>Fix npt/sphere requires atom attributes omega, torque</I>
<DD>An atom style that specifies these quantities is needed.
<DT><I>Fix npt/sphere requires spherical particle shapes</I>
<DD>Self-explanatory.
<DT><I>Fix nve/asphere requires atom attributes quat, angmom, torque, shape</I>
<DD>An atom style that specifies these quantities is needed.
<DT><I>Fix nve/sphere requires atom attribute mu</I>
<DD>An atom style with this attribute is needed.
@ -1836,6 +1848,10 @@ requesting the values on a non-allowed timestep.
<DD>The time window for temperature relaxation must be > 0
<DT><I>Fix nvt/asphere requires atom attributes quat, angmom, torque, shape</I>
<DD>An atom style that specifies these quantities is needed.
<DT><I>Fix nvt/sphere requires atom attribute shape</I>
<DD>An atom style with this attribute is needed.
@ -3118,6 +3134,10 @@ larger PPPM grid.
<DD>One or more pairwise cutoffs are too short to use with the specified
rRESPA cutoffs.
<DT><I>Pair dipole/cut requires atom attributes q, mu, torque, dipole</I>
<DD>An atom style that specifies these quantities is needed.
<DT><I>Pair distance < table inner cutoff</I>
<DD>Two atoms are closer together than the pairwise table allows.
@ -4042,6 +4062,24 @@ restriction.
<DD>Other fixes may change the position of the center-of-mass, so
fix recenter should come last.
<DT><I>Fix thermal/conductivity comes before fix ave/spatial</I>
<DD>The order of these 2 fixes in your input script is such that fix
thermal/conductivity comes first. If you are using fix ave/spatial to
measure the temperature profile induced by fix viscosity, then this
may cause a glitch in the profile since you are averaging immediately
after swaps have occurred. Flipping the order of the 2 fixes
typically helps.
<DT><I>Fix viscosity comes before fix ave/spatial</I>
<DD>The order of these 2 fixes in your input script is such that
fix viscosity comes first. If you are using fix ave/spatial
to measure the velocity profile induced by fix viscosity, then
this may cause a glitch in the profile since you are averaging
immediately after swaps have occurred. Flipping the order
of the 2 fixes typically helps.
<DT><I>Group for fix_modify temp != fix group</I>
<DD>The fix_modify command is specifying a temperature computation that