Merge pull request #581 from libAtoms/idces2quip
Modified USER-QUIP interface to pass lammps atom IDs
Description
Description
Details
Details
- Committed
GitHub <noreply@github.com> Jul 20 2017, 20:04 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS52a1c54d500e: support QUIP wrapper API version query, relax hybrid restriction to allow…
rLAMMPS72e5f537c8d0: Merge pull request #576 from akohlmey/sanitizer-changes - Branches
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Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 52a1c54d500e | Axel Kohlmeyer | support QUIP wrapper API version query, relax hybrid restriction to allow… | Jul 19 2017 | |||
| fcf9607a6666 | Max Veit | Update USER_QUIP docs to clarify use of "special_bonds" | Jul 19 2017 | |||
| 17aff29fe2e7 | Axel Kohlmeyer | fix off-by-one bug when copying strings | Jul 18 2017 | |||
| f96b9e0dcf55 | Axel Kohlmeyer | add various checks and improvements to identify incompatible uses and warn or… | Jul 18 2017 | |||
| 02572a4099a6 | Axel Kohlmeyer | add workaround that allows pair style quip to work with -DLAMMPS_BIGBIG… | Jul 18 2017 | |||
| 085cbee1163d | Axel Kohlmeyer | protect LAMMPS from calling incompatible QUIP library with -DLAMMPS_BIGBIG | Jul 18 2017 | |||
| bda07301693a | Max Veit | Modified the quip/lammps interface to pass lammps atom ids | Jul 17 2017 |