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

document the behavior of the gauss pair style to ignore special bond factors

This commit is contained in:
Axel Kohlmeyer 2020-08-27 17:41:43 -04:00
parent fa13e23f7a
commit 7b4891a9a3
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 12 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
doc/src/pair_gauss.rst
View File

@ -164,8 +164,18 @@ heading) the following commands could be included in an input script:
Restrictions
""""""""""""
The *gauss/cut* style is part of the "user-misc" package. It is only
enabled if LAMMPS is build with that package. See the :doc:`Build package <Build_package>` doc page for more info.
The *gauss/cut* style is part of the USER-MISC package. It is only
enabled if LAMMPS is build with that package. See the :doc:`Build
package <Build_package>` doc page for more info.
The *gauss* style does not apply :doc:`special_bonds <special_bonds>`
factors. When using this pair style on a system that has bonds, the
special_bonds factors, if using the default setting of 0.0, may need to
be adjusted to some very small number (e.g. 1.0e-100), so that those
special pairs are not completely excluded from the neighbor lists, but
won't contribute forces or energies from styles (e.g. when used in
combination with a :doc:`hybrid pair style <pair_hybrid>` that do apply
those factors.
Related commands
""""""""""""""""