Ali-Tehrani

I do remember making a logo with the "i" as a Gaussian and the dot is contours of the Gaussian. I'll check my old laptop tonight to see if I...

I doubt it will be a problem at all, since GBasis will only go up to like 7-11!! and the performance advantages from vectorization are much greater

No worries, if you want to run in the format you specified, you should be removing the .py and be in the `iodata` directory: ``` python3 -m iodata.test.common ``` However,...

Judging from wikipedia, that formula from the image (with the minus sign) match. You can use grid it to evaluate this integral. The first grid I would recommend is a...

I agree with adding in the notebook on how to construct it using the initializer but I feel like the __init__ method achieves the easy-to-use functionality if the user has...

Until grid assessment is done, the default construction methods in mol_grid would be changed so that the rgrid methods and aim_weights are from Horton/Becke Weights, respectively.

@marco-2023 Hi Marco, there is also instructions on how to build the website locally on your own computer, see [here](https://github.com/theochem/gbasis/tree/master/website).

I meant it before deployment, if you need to check the added docstrings and formulas look and formatted correctly before merging a pull-request. From what I understand, deployment only occurs...

Okay, finally all of the tests and linters are working. I think it's ready to be merged and may take the executive decision to do it later, so that others...

If you're worried about other people that have admin access, mistakenly updating it then sure.