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mlip-arena / mlip_arena /tasks /diatomics /run.ipynb

Commit History

remove python3.9 test; update st pages

ba1879f

cyrusyc commited on Oct 4, 2024

longer combustion trajs, add energy change, reaction energy

bd9f7b0

cyrusyc commited on Sep 27, 2024

some minor cleanup and test

dba3031

cyrusyc commited on Sep 23, 2024

Add COM drift for combustion (#10)

d937c80
unverified

Yuan (Cyrus) Chiang commited on Sep 23, 2024

add combustion results; design rank import mechanism

7dfb0b7

cyrusyc commited on Sep 21, 2024

add eSCN; refactor app.py

78cdc34

cyrusyc commited on Sep 20, 2024

Add calculator test (#6)

1c7cd6c
unverified

Yuan (Cyrus) Chiang commited on Sep 20, 2024

update external calculator classes; update diatomic curves

cf512f3

cyrusyc commited on Sep 19, 2024

add orb model to diatomic tasks

05e8129

cyrusyc commited on Sep 11, 2024

fix typo; add diatomic, combustion notebooks

f0fdb88

cyrusyc commited on Sep 3, 2024