Merge pull request #278 from akohlmey/pair-agni
Implementation of the AGNI manybody potential
Description
Description
Details
Details
- Committed
GitHub <noreply@github.com> Nov 17 2016, 17:04 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS57124b9b2509: update documentation metadata files for recent changes
rLAMMPS073e8a052485: Merge pull request #276 from akohlmey/doc-updates - Branches
- Unknown
- Tags
Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 57124b9b2509 | Axel Kohlmeyer | update documentation metadata files for recent changes | Nov 12 2016 | |||
| 03b3834fe3b2 | Axel Kohlmeyer | add documentation for pair style agni | Nov 12 2016 | |||
| d0124eac95e1 | Axel Kohlmeyer | optimized data access and using approximate exponential for USER-OMP version | Nov 12 2016 | |||
| 5685131fe233 | Axel Kohlmeyer | add USER-OMP version of pair style agni | Nov 12 2016 | |||
| 22fc92f9d87d | Axel Kohlmeyer | use special ev_tally() function suitable for this kind of force compute | Nov 12 2016 | |||
| b9770766a854 | Axel Kohlmeyer | add adatom and vacancy examples for AGNI pair style | Nov 12 2016 | |||
| 9cc0c8badd0a | Axel Kohlmeyer | error exit when requested element is not in potential file | Nov 12 2016 | |||
| 6e1492a86c78 | Axel Kohlmeyer | add potential file for pair style AGNI | Nov 12 2016 | |||
| 9b0987d8c4a7 | Axel Kohlmeyer | first complete implementation of AGNI pair style | Nov 11 2016 | |||
| e453adaf8118 | Axel Kohlmeyer | implemented parser for 1 element potential files | Nov 11 2016 | |||
| 801111a7abfa | Axel Kohlmeyer | dummy framework implementation for AGNI pair style | Nov 10 2016 |
