issues
search
stfc
/
janus-core
Tools for machine learnt interatomic potentials
https://stfc.github.io/janus-core/
BSD 3-Clause "New" or "Revised" License
9
stars
7
forks
source link
Add integrator kwargs to MD
#175
Closed
ElliottKasoar
closed
3 months ago
ElliottKasoar
commented
3 months ago
Resolves #172
To do:
[x] Improve CLI test. Possibly just pick a value for one of the outputs to check it doesn't change, as we can't check the mask itself is set as we do in the Python.
Resolves #172
To do: