← 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/
| Name | Size |
|---|---|
../ | |
build_tables.py | 4.8 KB |
figures.py | 1.4 KB |
pack_inputs.py | 2.1 KB |
quick_check.py | 3.6 KB |
README.md | 3.6 KB |
rerun/ |