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GQCG-edu / bootcamp

The Bootcamp of the Ghent Quantum Chemistry Group, aimed at achieving the initial competences needed in order to be able to contribute to our electronic structure method development group.
GNU General Public License v3.0
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MFatjano: Project 1 #18

Closed MFatjano closed 3 years ago

MFatjano commented 4 years ago

I've made a pull request earlier but I don't know if those are visible to you? Progress has been slow lately due to me being ill but I'm close to finishing project 1. I'm stuck at step 7. My calculated values for the tensor elements don't match up with the solution and I can't seem to find out why. For this project, I currently work in the Google Colab environment: https://colab.research.google.com/drive/10cc8-zohuxCE6V3pSbbtxzXlsgLxCkXv?usp=sharing @dariatols @xdvriend @guacke

xdvriend commented 4 years ago

I believe it would be better to first fork this repository to your personal GitHub account and create your PR's there. If you give us access to the forked repository, we can follow your progress the same way we do here, however, that way we don't risk adding solutions of the projects to this repository's master branch. There will be other students taking this bootcamp and they should be able to start from the same clean slate that you started from. Do you agree @guacke ?

If @guacke agrees with me, then I suggest doing this first. In the mean time I'll look over the work you already did and try to provide some support wherever necessary.