Marco Martínez González
Marco Martínez González
Hi @maximilianvz and @FarnazH, I am very sorry for the lateness, I know we are short on time. Here is the evaluation tutorial (the part regarding the electron density and...
Thanks, @maximilianvz for going through the notebooks in detail. I fixed the issues you pointed out. It happened again that I first wrote the idea that was going to be...
@maximilianvz, @FarnazH I added the last examples notebook (it took me more than I thought, sorry about that). The order of the notebooks can be improved (I did not have...
Hi @maximilianvz I renamed the file `Evaluations_electron_density.ipynb` to `Electron_density_and_gradient.ipynb` using `git mv`. In principle, the file `Evaluations_electron_density.ipynb` should not exist anymore so don't take it into account. The file that...
Hi @maximilianvz , I fixed the problem of the duplicated notebooks. I left `Evaluations_electron_density.ipynb` because I was the one you revised earlier.
Thank you @PaulWAyers for pointing out the error, I fixed the print statement accordingly.
Hi @leila-pujal You are absolutely right. If I remember correctly at the beginning the tutorial used the formaldehyde as an example. Latter we changed to $\rm C_2H_4$ because it is...
Dear Saksham Gupta (@Sakshamgupta90) and Prapti Sharma (@praptisharma28), We are delighted by your interest in our project! To gain a better understanding of the project's codebase, we recommend reading Pull...
@maximilianvz and @FarnazH I submitted the changes to the integrals related notebook. This tutorial is more abstract than others. I changed this to be the second tutorial. I am sorry...
@FarnazH @PaulWAyers @leila-pujal @maximilianvz Dear all: I went through this notebook one last time. Thanks to @leila-pujal I fixed some wrong prompts at the begining. I am still not able...