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python-app.yml
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Separate exact, sampling and approximation CI #33: Commit 865cd71 pushed by WardLT
October 3, 2023 14:04 1m 44s notebook_refactor
notebook_refactor
October 3, 2023 14:04 1m 44s
Add utility for making calculator CI #32: Commit f3e6406 pushed by WardLT
October 3, 2023 13:20 3m 43s notebook_refactor
notebook_refactor
October 3, 2023 13:20 3m 43s
Allow use of MOPAC in proof of concept (#13) CI #31: Commit 0263fb2 pushed by WardLT
October 2, 2023 18:08 4m 12s main
main
October 2, 2023 18:08 4m 12s
Allow use of MOPAC in proof of concept CI #30: Pull request #13 opened by WardLT
October 2, 2023 18:03 4m 58s add_mopac
add_mopac
October 2, 2023 18:03 4m 58s
Allow use of MOPAC in proof of concept CI #29: Commit 202308d pushed by WardLT
October 2, 2023 18:02 4m 14s add_mopac
add_mopac
October 2, 2023 18:02 4m 14s
Add computing Hessians using MBTR forcefield (#8) CI #28: Commit b7d6b6a pushed by WardLT
September 13, 2023 21:42 3m 25s main
main
September 13, 2023 21:42 3m 25s
Add computing Hessians using MBTR forcefield CI #27: Pull request #8 synchronize by WardLT
September 13, 2023 21:42 3m 32s add_mbtr
add_mbtr
September 13, 2023 21:42 3m 32s
Update proof-of-concept with more data, better KRR CI #26: Commit 277158c pushed by WardLT
September 13, 2023 21:42 3m 19s add_mbtr
add_mbtr
September 13, 2023 21:42 3m 19s
Add computing Hessians using MBTR forcefield CI #25: Pull request #8 synchronize by WardLT
September 13, 2023 19:02 3m 31s add_mbtr
add_mbtr
September 13, 2023 19:02 3m 31s
Adjust the scale to be a unit normal CI #24: Commit 7f0e599 pushed by WardLT
September 13, 2023 19:02 4m 37s add_mbtr
add_mbtr
September 13, 2023 19:02 4m 37s
Add computing Hessians using MBTR forcefield CI #23: Pull request #8 opened by WardLT
September 13, 2023 18:56 3m 36s add_mbtr
add_mbtr
September 13, 2023 18:56 3m 36s
Add an example notebook with MBTR CI #22: Commit 8cce7f8 pushed by WardLT
September 13, 2023 18:55 3m 29s add_mbtr
add_mbtr
September 13, 2023 18:55 3m 29s