Commit History

add eos notebook
c7922c2

cyrusyc commited on

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

cyrusyc commited on

longer combustion trajs, add energy change, reaction energy
bd9f7b0

cyrusyc commited on

some minor cleanup and test
dba3031

cyrusyc commited on

Add COM drift for combustion (#10)
d937c80
unverified

Yuan (Cyrus) Chiang commited on

add combustion results; design rank import mechanism
7dfb0b7

cyrusyc commited on

update external calculator classes; update diatomic curves
cf512f3

cyrusyc commited on

add orb model to diatomic tasks
05e8129

cyrusyc commited on

add release workflow
ad38d4e

cyrusyc commited on

fix typo; add diatomic, combustion notebooks
f0fdb88

cyrusyc commited on