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

correct compute group/group documentation for use with EAM styles

This commit is contained in:
Axel Kohlmeyer 2019-02-25 02:43:51 -05:00
parent 229ded45ee
commit 9185f28a12
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 5 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
doc/src/compute_group_group.txt
View File

@ -137,11 +137,12 @@ Not all pair styles can be evaluated in a pairwise mode as required by
this compute. For example, 3-body and other many-body potentials,
such as "Tersoff"_pair_tersoff.html and
"Stillinger-Weber"_pair_sw.html cannot be used. "EAM"_pair_eam.html
potentials only include the pair potential portion of the EAM
interaction when used by this compute, not the embedding term.
potentials will re-use previously computed embedding term contributions,
so the computed pairwise forces and energies are based on the whole
system and not valid if particles have been moved since.
Not all Kspace styles support calculation of group/group interactions.
The {ewald} and {pppm} styles do.
Not all "Kspace styles"_kspace_style.html support the calculation of
group/group interactions. The regular {ewald} and {pppm} styles do.
[Related commands:] none