Homec4science

Merge pull request #624 from akohlmey/compute-fragment

Authored by Steve Plimpton <sjplimp@sandia.gov> on Aug 23 2017, 22:14.

Description

Merge pull request #624 from akohlmey/compute-fragment

Add computes fragment/atom and aggregate/atom

Details

Committed
GitHub <noreply@github.com>Aug 23 2017, 22:14
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS24c00b1f7a20: fix typo
rLAMMPS1536eb5de549: Merge pull request #630 from akohlmey/moltemplate-update
Branches
Unknown
Tags
Unknown

Event Timeline

GitHub <noreply@github.com> committed rLAMMPS7b7a5076d00a: Merge pull request #624 from akohlmey/compute-fragment (authored by Steve Plimpton <sjplimp@sandia.gov>).Aug 23 2017, 22:14

Merged Changes

CommitAuthorDetailsCommitted
24c00b1f7a20Axel Kohlmeyer
fix typo 
Aug 21 2017
5a0c3aea8ac1Axel Kohlmeyer
add a compute aggregate/atom, that combines the rules for compute cluster/atom… 
Aug 21 2017
c895df73d624Axel Kohlmeyer
skip over disabled bonds 
Aug 20 2017
4dc1195cd851Axel Kohlmeyer
add docs for compute fragment/atom 
Aug 20 2017
35fd82b60282Axel Kohlmeyer
trim unneeded includes 
Aug 20 2017
c5ce3ffe60e4Axel Kohlmeyer
use list of bonds per atom instead of bondlist, as that will work with shake as… 
Aug 20 2017
6f66e6c45445Axel Kohlmeyer
add new compute fragment/atom 
Aug 19 2017