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Commits on Mar 8, 2024

• more fixes

  rwkeane

  committed
  348de9e

• Fixed Bugs Found During Testing

  rwkeane

  committed
  fa84e4a

Commits on Mar 11, 2020

• Merge branch 'master' of https://github.com/risilab/cormorant

  ehthiede

  committed
  6a4b637

Commits on Mar 6, 2020

• Updated Readme

  ehthiede

  committed
  813bf34

• Added License!

  ehthiede

  committed
  f31a7f3

Commits on Oct 31, 2019

• Change in-place operation that was unnecessary and also broke the code whe gradients against the input were desired

  ehthiede

  committed
  dc04523

Commits on Oct 27, 2019

• Update README.rst

  ehthiede

  authored
  99975a7

• Further tweaks to the license to be more explicit

  ehthiede

  committed
  b57fdc3

• Tweaks to packaging and such

  ehthiede

  committed
  1abe8e6

• Merged in changes from dev/cg_lib

  ehthiede

  committed
  62487af

• Tweaked docs to compile correctly pre-release

  ehthiede

  committed
  7fe8539

• Tweaked documentation

  ehthiede

  committed
  8c59bfd

Commits on Oct 3, 2019

• Separated md17 and qm9 specific arguments

  ehthiede

  committed
  470d086

• Bugfix on units

  branderson1

  committed
  7fe0850

• Bugfix in edge_reps since '*' must multiply two reps of the same maxl.

  branderson1

  committed
  d37bd7e

• Hacked QM9 to output energies in eV (except ZPVE which is now meV)

  branderson1

  committed
  22222a6

• Fixed URL for salicylic acid

  branderson1

  committed
  f18aa4a

Commits on Oct 2, 2019

• Merge branch 'dev/cg_lib' into dev/packaging

  ehthiede

  committed
  2eac1db

Commits on Oct 1, 2019

• Added loss with units to logfile

  branderson1

  committed
  19ee6d5

• Added units to prediction logs.

  branderson1

  committed
  4c08aaa

Commits on Sep 29, 2019

• Forgot to run tests for last commit. Corresponding bugfixes.

  branderson1

  committed
  ee3497a

• Forgot to commit mask level in previous commit.

  branderson1

  committed
  1ccb6da

• Merge branch 'dev_docs' into dev/cg_lib_qm9_2

  branderson1

  committed
  c1da7c9

• Began implementation of md17/qm9/kaggle models.

  branderson1

  committed
  3a616c2

• changed url to something test.pypi.org would like

  ehthiede

  committed
  418ff5e

• Modded gitignore to ignore directories created in packaging

  ehthiede

  committed
  1c79d41

• Added license to manifest and fixed error in setup.py

  ehthiede

  committed
  2f6e50e

• Added License and url string to setup.py, modified MANIFEST.in

  ehthiede

  committed
  769a0aa

• Updated gitignore

  ehthiede

  committed
  b4f4ac7

• Tweaked cg layer docs to avoid warning in compilation

  ehthiede

  committed
  c7dd8e4

• Merge branch 'dev_docs' of https://bitbucket.org/branderson/cormorant into dev_docs

  ehthiede

  committed
  5d7263d

• Updated documentation

  ehthiede

  committed
  06acfcd

Commits on Sep 28, 2019

• Updated documentation to be consistent in style and provide links out to other packages

  ehthiede

  committed
  d549ecb

• Modified docs to link to external packages

  ehthiede

  committed
  8b1953d

• Added data.rst to file structure and made spherical harmonics pep8 compatible

  ehthiede

  committed
  0b31ac4

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