Valerii Chuiko

@leila-pujal I think the tentative plan is to use the autograd library for these purposes. Let me know if you think other libraries will be more suitable for this.

@msricher @PaulWAyers you told me that libcint doesn't allow us to evaluate derivatives higher than 2. Maybe this will help https://github.com/autodiff/autodiff It seems like this library is pure analog of...

@leila-pujal I will need the logo at some point, so feel free to share ideas

@PaulWAyers here are few examples with more gaussiany g and g, that looks more like a contour map (my preference). Is that what you had in mind? ![Screenshot 2023-10-25 at...

@PaulWAyers you mean the asymmetric one? Also, do we have any domain name reserved for the package?

@marco-2023 @Ali-Tehrani I assume this fix should solve the problem with automatic update of the website.

@Ali-Tehrani @marco-2023 there is **no need to do anything regarding the website** build and deployment. building documentation and deployment is run automatically using GitHub actions here: https://github.com/theochem/gbasis/blob/master/.github/workflows/main.yml 1. Documentation is...

You are right, but I'm feeling like pushing things into ghpages branch manually may create issues with the website, especially when multiple people are working at the same time. I...

@Ali-Tehrani okay, I can remove a section `Pushing to the website` from [here](https://github.com/theochem/gbasis/tree/master/website#pushing-to-website) then?

for the API, we can do it like this (for now): 1. If $\alpha, \beta$ are provided, than all diagonals for 1 body term has to be $\alpha$ , and...