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Recent Releases of https://github.com/jon-ting/covdrugsim

https://github.com/jon-ting/covdrugsim - v1.0.22

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Published by github-actions[bot] 10 months ago

https://github.com/jon-ting/covdrugsim - v1.0.21

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Published by github-actions[bot] 12 months ago

https://github.com/jon-ting/covdrugsim - v1.0.20

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Published by github-actions[bot] 12 months ago

https://github.com/jon-ting/covdrugsim - v1.0.19

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Published by github-actions[bot] about 1 year ago

https://github.com/jon-ting/covdrugsim - v1.0.18

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Published by github-actions[bot] about 1 year ago

https://github.com/jon-ting/covdrugsim - v1.0.17

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Published by github-actions[bot] over 1 year ago

https://github.com/jon-ting/covdrugsim - v1.0.16

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Published by github-actions[bot] over 1 year ago

https://github.com/jon-ting/covdrugsim - v1.0.15

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Published by github-actions[bot] over 1 year ago

https://github.com/jon-ting/covdrugsim - v1.0.14

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Published by github-actions[bot] almost 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.13

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Published by github-actions[bot] almost 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.12

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Published by github-actions[bot] almost 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.11

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Published by github-actions[bot] almost 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.10

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Published by github-actions[bot] almost 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.9

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Published by github-actions[bot] about 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.8

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Published by github-actions[bot] about 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.7

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Published by github-actions[bot] about 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.6

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Published by github-actions[bot] about 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.5

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Published by github-actions[bot] about 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.4

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.3

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.2

Documentation

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v1.0.1

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.15

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.14

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.13

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.12

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.11

- Python
Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.10

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.9

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.8

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.7

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.6

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.5

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Published by github-actions[bot] over 2 years ago

https://github.com/jon-ting/covdrugsim - v0.4.4

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Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.4.3

Documentation

  • example: Updated example files (f0305a4)
  • init.py: Fixed implicit name issue on readthedocs (544b5bf)

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.4.2

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.4.1

Documentation

  • readme: Updated example usage in readme (5edf801)
  • example: Updated examples (17c9eef)

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.4.0

Feature

  • Updated example xyz files and added their Gaussian outputs (33671b8)

Documentation

  • qmcalc: Made qmcalc functions more verbose and adjusted default values (ac79de3)

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.3.1

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Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.3.0

Feature

  • import: Allowed essential functions to be imported directly from package namespace (3ba99be)
  • qmcalc: Tidied up qmcalc functionalities (07d9e75)

Documentation

  • prepGaussian: Added docstrings to functions in prepGaussian.py (0661eb6)

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Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.2.0

Feature

  • tabulate: Renamed a function in tabulate.py (5e0c885)
  • tabulate: Renamed a function in tabulate.py (f608ca2)

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/jon-ting/covdrugsim - v0.1.0

Feature

  • conda-forge: Initialised publication to conda-forge (3c09d95)
  • Attempt to fix PSR version problem (3607799)

Fix

  • Initialised cleaning of source code (1cab90f)
  • Renamed imports (6622212)

Documentation

  • readme: Updated readme (5869e60)
  • readme: Updated readme (720b38c)
  • Created docstrings for unitConv() (3037c64)
  • Updated readme and example (a1f88bf)

- Python
Published by github-actions[bot] almost 3 years ago