From d2dd4068b6c8c8c50aa1d444bdb544ceab574e56 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 9 Jan 2009 18:20:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2363 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_errors.html | 38 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 38 insertions(+) diff --git a/doc/Section_errors.html b/doc/Section_errors.html index ab490314d2..363cd063bf 100644 --- a/doc/Section_errors.html +++ b/doc/Section_errors.html @@ -1804,14 +1804,26 @@ requesting the values on a non-allowed timestep.
The time window for temperature or pressure relaxation must be > 0 +
Fix npt/asphere requires atom attributes quat, angmom, torque, shape + +
An atom style that specifies these quantities is needed. +
Fix npt/sphere requires atom attribute shape
An atom style that specifies atom shape is needed. +
Fix npt/sphere requires atom attributes omega, torque + +
An atom style that specifies these quantities is needed. +
Fix npt/sphere requires spherical particle shapes
Self-explanatory. +
Fix nve/asphere requires atom attributes quat, angmom, torque, shape + +
An atom style that specifies these quantities is needed. +
Fix nve/sphere requires atom attribute mu
An atom style with this attribute is needed. @@ -1836,6 +1848,10 @@ requesting the values on a non-allowed timestep.
The time window for temperature relaxation must be > 0 +
Fix nvt/asphere requires atom attributes quat, angmom, torque, shape + +
An atom style that specifies these quantities is needed. +
Fix nvt/sphere requires atom attribute shape
An atom style with this attribute is needed. @@ -3118,6 +3134,10 @@ larger PPPM grid.
One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. +
Pair dipole/cut requires atom attributes q, mu, torque, dipole + +
An atom style that specifies these quantities is needed. +
Pair distance < table inner cutoff
Two atoms are closer together than the pairwise table allows. @@ -4042,6 +4062,24 @@ restriction.
Other fixes may change the position of the center-of-mass, so fix recenter should come last. +
Fix thermal/conductivity comes before fix ave/spatial + +
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. + +
Fix viscosity comes before fix ave/spatial + +
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. +
Group for fix_modify temp != fix group
The fix_modify command is specifying a temperature computation that