Liquid densities#388

Merged

ElliottKasoar merged 22 commits intoddmms:mainfrom

kuryla:liquid_densities

Apr 2, 2026

Commits on Mar 11, 2026

Liquid densities analysis

Domantas Kuryla
authored and
ElliottKasoar
committed
Liquid densities app

Domantas Kuryla
authored and
ElliottKasoar
committed
Liquid densities docs

Domantas Kuryla
authored and
ElliottKasoar
committed
Add MD docs to index
ElliottKasoar
committed
Liquid Densities calc and conftest.py

Domantas Kuryla
authored and
ElliottKasoar
committed
Rename calc
ElliottKasoar
committed
Update downloaded zip
ElliottKasoar
committed
Remove unused constant
ElliottKasoar
committed
Allow custom options to be passed to calculations
ElliottKasoar
committed

Commits on Mar 12, 2026

Write outputs to model dir
Domantas Kuryla
committed
Compute mean density from log
Domantas Kuryla
committed
Change number of md steps
Domantas Kuryla
committed
Check that system_id is withing range
Domantas Kuryla
committed
Change Equilib time and log_interval
Domantas Kuryla
committed
Update docstrings in analysis
Domantas Kuryla
committed