User guide

Summary

This is a broad outline on how the software is used. For a scientific discussion on theory and examples on use, read the literature.

Installation

For installation please refer to the Installation section..

Hartree Fock SCF

A HF calculation can be preformed… Behold:

  #This doesn't work but is just placeholder for someone to edit
  from DFT_1d import hf_scf
  Answer = hf_scf.CALCULATECALCULATECALCULATE
  print(Answer)

The examples directory includes:

• An example of 1D Hartree-Fock

• An example of 1D Kohn-Sham DFT

• A posh example of Poschl Teller wells