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mlip-arena / mlip_arena /tasks /combustion /water.ipynb

Commit History

Major cleanup (#51)
39b1d6f

Yuan (Cyrus) Chiang commited on

Add `ORBv2` hydrogen combustion result (#32)
f30c863

Yuan (Cyrus) Chiang commited on

cleanup notebooks
5eefbc7

cyrusyc commited on

add mrore/update diatomics curves
a1ec213

cyrusyc commited on

Improve dependencies (#20)
5ea2ee0

Yuan (Cyrus) Chiang commited on

comment out unsupported models from registry
ebec9a9

cyrusyc commited on

add eos notebook
39c15eb

cyrusyc commited on

add relax task, eos workflow, and prefect test
9241861

cyrusyc commited on

longer combustion trajs, add energy change, reaction energy
b86dbc7

cyrusyc commited on

some minor cleanup and test
a959782

cyrusyc commited on

Add COM drift for combustion (#10)
189176d

Yuan (Cyrus) Chiang commited on

add combustion results; design rank import mechanism
623f47a

cyrusyc commited on

update external calculator classes; update diatomic curves
3dd6c96

cyrusyc commited on

add orb model to diatomic tasks
537f9b2

cyrusyc commited on

add release workflow
778f981

cyrusyc commited on

fix typo; add diatomic, combustion notebooks
ffd09d9

cyrusyc commited on