GPRidge
GPRidge is used for Gaussian-process band and saddle search. Native GP-NEB and CI-NEB share the rgpot Morse oracle.
Versions
| Role | Ref | Commit | Source |
|---|---|---|---|
| Gaussian-process band and saddle search | develop | 3ddd83b774f4 | https://github.com/TheochemUI/gpridge |
Results
Ranked rows for this code, one version and one method on each row. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Scoring rules.
No ranked row.