← F0002: mepd channels finds g-xTB transition states below the reference ones for 103 Reaction-QM and 12 Geodesic-set reactions
F0002 · Version 1 · Files
reproduce/rerun/
| Name | Size |
|---|---|
../ | |
combine_geodesic.py | 3.3 KB |
mepd_profile.toml | 743 B |
src/ |