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mlip-arena / mlip_arena /tasks /combustion

Commit History

Add `ORBv2` hydrogen combustion result (#32)

a671cbd
unverified

Yuan (Cyrus) Chiang commited on 3 days ago

cleanup notebooks

1925de9

cyrusyc commited on 5 days ago

add mrore/update diatomics curves

8b028aa

cyrusyc commited on Nov 19

Improve dependencies (#20)

b22d49d
unverified

Yuan (Cyrus) Chiang commited on Nov 12

comment out unsupported models from registry

c1d2139

cyrusyc commited on Nov 11

Add `eqV2_86M_omat_mp_salex` model (#14)

52c1bfb
unverified

Yuan (Cyrus) Chiang commited on Oct 21

add eos notebook

c7922c2

cyrusyc commited on Oct 10

add relax task, eos workflow, and prefect test

1effaf5

cyrusyc commited on Oct 8

remove python3.9 test; update st pages

ba1879f

cyrusyc commited on Oct 4

longer combustion trajs, add energy change, reaction energy

bd9f7b0

cyrusyc commited on Sep 27

some minor cleanup and test

dba3031

cyrusyc commited on Sep 23

Add COM drift for combustion (#10)

d937c80
unverified

Yuan (Cyrus) Chiang commited on Sep 23

add combustion results; design rank import mechanism

7dfb0b7

cyrusyc commited on Sep 21

update external calculator classes; update diatomic curves

cf512f3

cyrusyc commited on Sep 19

add orb model to diatomic tasks

05e8129

cyrusyc commited on Sep 11

add release workflow

ad38d4e

cyrusyc commited on Sep 6

fix typo; add diatomic, combustion notebooks

f0fdb88

cyrusyc commited on Sep 3

add combustion MD runtime speed

17bfe96

cyrusyc commited on Aug 28

update model tasks in registry

c31fd29

cyrusyc commited on Aug 24

update combustion

7c36d54

cyrusyc commited on Aug 23

add combustion page

e6cac5c

cyrusyc commited on Jul 18

Commit History

Add `ORBv2` hydrogen combustion result (#32) a671cbd unverified

cleanup notebooks 1925de9

add mrore/update diatomics curves 8b028aa

Improve dependencies (#20) b22d49d unverified

comment out unsupported models from registry c1d2139

Add `eqV2_86M_omat_mp_salex` model (#14) 52c1bfb unverified

add eos notebook c7922c2

add relax task, eos workflow, and prefect test 1effaf5

remove python3.9 test; update st pages ba1879f

longer combustion trajs, add energy change, reaction energy bd9f7b0

some minor cleanup and test dba3031

Add COM drift for combustion (#10) d937c80 unverified

add combustion results; design rank import mechanism 7dfb0b7

update external calculator classes; update diatomic curves cf512f3

add orb model to diatomic tasks 05e8129

add release workflow ad38d4e

fix typo; add diatomic, combustion notebooks f0fdb88

add combustion MD runtime speed 17bfe96

update model tasks in registry c31fd29

update combustion 7c36d54

add combustion page e6cac5c