This repository contains the subjects proposed for the homework of the advanced computational techniques.
You should pick two subjects among the three subjects below:
- Project #1: HF and MP2 energy in C
- Project #2: Sparse matrices in Fortran (project2a) and GPU programming (project2b)
- Project #3: Molecular dynamics in C or Fortran
- Project #4: MacMurchie/Davidson algorithm for overlap integrals
You must fork this repository and create your files in the project*
directory. Don't forget to git add your files, and make some frequent commits
and git push to your fork.
When you are done (or when the time limit is reached), you will make a pull-request
of your fork to our GitHub repository.
If you need help with the creation of your GitHub token, read the inscructions given in the token.pdf file of this repository.