Commit History

remove python3.9 test; update st pages
ba1879f

cyrusyc commited on

update leaderbord, readme, longer traj
c4ff088

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longer combustion trajs, add energy change, reaction energy
bd9f7b0

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some minor cleanup and test
dba3031

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add combution rank file
b5af995

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add com drifts + animation; add streamlit test
4cf6e46

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Rollback streamlit version to 1.36.0 for hf space compat. (#11)
b113315
unverified

Yuan (Cyrus) Chiang commited on

Add COM drift for combustion (#10)
d937c80
unverified

Yuan (Cyrus) Chiang commited on

Add homonuclear diatomic rank (#8)
f9d3b3b
unverified

Yuan (Cyrus) Chiang commited on

fix typo
92e3c26

cyrusyc commited on

add combustion results; design rank import mechanism
7dfb0b7

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avoid prefect dependency on hf
18cbf00

cyrusyc commited on

add eSCN; refactor app.py
78cdc34

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Add calculator test (#6)
1c7cd6c
unverified

Yuan (Cyrus) Chiang commited on

update external calculator classes; update diatomic curves
cf512f3

cyrusyc commited on

rearrange readme
975c8f2

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rearrange readme
d309ef8

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update readme
4414fd1

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add package and ckpt info
d78049e

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add orb model to diatomic tasks
05e8129

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add `fi`
36c27f3

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fix undefined variable
a0f16e0

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fix syntax
1ef094e

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fix EOF
0851ebf

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fix variable access
d5479eb

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add reqeusts in workflow
a42ff54

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fix indentation
c1b7606

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update workflow
1bed0ab

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--amend
fdd1450

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skip flit build and publish if version is not bumped
090f728

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change to adhere to PEP440
b318d47

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add pre-alpha to version tag
ba50bbd

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change .pypirc path
2449c37

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add .pypirc file in workflow
e0bda3b

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add pypi workflow
2708dcd

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add if conditions in workflow
45fb053

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try to gracefully bail
b42eccd

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add zenodo
3ca27ab

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allow write permissions
ed8540d

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add release workflow
ad38d4e

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update README
07722d8

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fix typo; add diatomic, combustion notebooks
f0fdb88

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horizontal bar, add color
df0fa6f

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add combustion MD runtime speed
17bfe96

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update model metadata
7f5709e

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update model tasks in registry
c31fd29

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fix email typo
c48d746

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add info in `.github/README.md`
1c28261

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update contribute information
60f9433

cyrusyc commited on

update combustion
7c36d54

cyrusyc commited on