hartree

There are 2 repositories under hartree topic.

  • AlexB67/hfscf

    A small ab initio package for electronic structure calculations.

    Language:C++7111

  • jameschums/smash_pcm_1.0

    forked from CMSI SMASH dev 2.30, using this repo to try and incorporate ddpcm, nothing is working, this is just holding the code for me whilst i work on it. I do NOT own any of this code, its very good fortran mind you. However, 2 electron integrals are complex and this will take ages.

    Language:Fortran1101