Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes
Fixes for PairAIREBO::bondorderLJ
Description
Description
Details
Details
- Committed
GitHub <noreply@github.com> Mar 7 2017, 17:32 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS904609a7a3a5: Fixed issue with switching function derivative in PairAIREBO::FLJ
rLAMMPSefaa4c67109f: new neigh_modify exclude option, other SNAP changes - Branches
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Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 904609a7a3a5 | Markus Hoehnerbach | Fixed issue with switching function derivative in PairAIREBO::FLJ | Feb 15 2017 | |||
| fc3505fac47d | Markus Hoehnerbach | Fixed a number of issues after verifying against the KIM version | Feb 15 2017 | |||
| a323ca1edd79 | Markus Hoehnerbach | Moved variable declarations to front for consistency | Feb 13 2017 | |||
| de4af6f15d6a | Markus Hoehnerbach | In PairAIREBO::bondorderLJ correct omega sum d/drij. | Feb 13 2017 | |||
| 0e16dc3ead0b | Markus Hoehnerbach | In PairAIREBO::bondorderLJ: p^sigma pi account for d/drij derivatives. | Feb 13 2017 | |||
| 1b3f6e257a88 | Markus Hoehnerbach | In PairAIREBO::bondorderLJ only compute torsion term once. | Feb 13 2017 |