theochem / gbasis

Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
http://gbasis.qcdevs.org/
GNU Lesser General Public License v3.0
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[BUG] Typos in documentation & parser.py #168

Closed 3laaHisham closed 4 months ago

3laaHisham commented 7 months ago

Describe the bug

While navigating through the notes.pdf and later at parser.py, I think I found some unintended words in place.

To Reproduce

  1. /docs/notes.pdf Section 6.2 Multipole moment intergral: Instead of: "To compute the overlap of a set of molecular orbitals" It should be: "To compute the moment of a set of molecular orbitals"
  2. /gbasis/parser.py Line 217: Instead of: "Tolerance must be provided as True or False." It should be: "Overlap must be provided as True or False."

Expected behaviour

Minimal Effect on users and developers' experience.

Screenshots

  1. Docs

  2. parser

System Information:

Additional context

Charlie-1-3 commented 7 months ago

I have corrected the above-mentioned typos in the documentation. Also if I find any more of these errors in the docs, I will see to it immediately.