Farnaz Heidar-Zadeh

@maximilianvz I just invited you to `gbasis` team until you accept it. I won't be able to assign you as a reviewer. Please review this PR, after PR #140 is...

What should be done to resolve this error message? https://github.com/theochem/gbasis/blob/master/gbasis/wrappers.py#L108 I was loading a `WFN` which contains only Cartesian primitives, and got this error: `ValueError: Given convention does not support...

@tovrstra Is there anything else that needs to be fixed/improved for proper `iodata` support?

Thanks for your comment and suggestions @thomaspigeon. We have thought about this issue and tried multiple things. The `one_dm` used to be computed by `iodata` in the past, but it...

Thanks @Aditish51 for offering to help. After discussing with other members of QC-Devs we decided just to add a link to this PDF file on GBasis's website.

@leila-pujal and @marco-2023 are there any other notebook/example that needs to be added? If so, please list them here.

@xychem, I couldn't find your example notebook. Can you please share a link here asap? Preferably you can make a branch for this issue, or just make a PR.

(1) Minyaev, R. M.; Quapp, W.; Subramanian, G.; Schleyer, P. von R.; Mo, Y. Internal Conrotation and Disrotation in H2BCH2BH2 and Diborylmethane 1,3 H Exchange. Journal of Computational Chemistry 1997,...

**Post PR-#162:** Any comments are welcomed: - **[Feature]** The same number of bins is used for partitioning each axis/dimension of feature space. It can be desirable to use different values...

@Ali-Tehrani, when putting together the `quick_start.ipynb` (see PR #186), I encountered the `RuntimeWarning: invalid value encountered in floor_divide bin_index = np.floor_divide(X - axis_minimum, bin_length)` from [L124 of selector/methods/partition.py](https://github.com/theochem/Selector/blob/main/selector/methods/partition.py#L124). The `bin_length`...