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@FarnazH FarnazH commented Aug 31, 2021

Description

Support Python3 (i.e., using iodata, grid, and gbasis) in addition to Python2 (i.e., using horton). So, chemtools can be imported/used with both Python 2 & 3 (some features would not be available with Python 3 yet, which results in an informative error). The tests can also be run with Python 2 & Python 3 (environments with proper dependencies installed) as well; some tests will be skipped depending on the Python version.

Checks

  • Each commit addresses one thing.
  • Each commit message is informative and is less than 50 characters.
  • Commits that can be grouped together are squashed.
  • Each unit of code added is tested.
  • Each unit of code added is documented.
  • Commits are rebased onto master.

Type of Changes

Please remove the lines that don't represent the type of your PR.

✨ New Feature
🎨 Improve Format & Structure

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