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mlip-arena / mlip_arena /tasks /combustion

Commit History

Add `eqV2_86M_omat_mp_salex` model (#14)
a133fcb

Yuan (Cyrus) Chiang commited on

add eos notebook
39c15eb

cyrusyc commited on

add relax task, eos workflow, and prefect test
9241861

cyrusyc commited on

remove python3.9 test; update st pages
5ccbffc

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

add combustion MD runtime speed
34fa973

cyrusyc commited on

update model tasks in registry
6951d6d

cyrusyc commited on

update combustion
55346d5

cyrusyc commited on

add combustion page
2100e49

cyrusyc commited on