ModelHam

MoHa is abbreviation of Molecular&Model Hamiltonian, it is a quantum chemistry program written in python. MoHa now is not a formal program but a toy for practice coding and help myself to have a better understanding of quantum chemistry.

Installation

• Prerequisties:

  • Python 3.5 or above
  • numpy 1.13.1
  • scipy 0.19.1

• Compile

  git clone https://github.com/ZhaoYilin/modelham.git
  cd moha
  python setup.py install --user
  

Tutorial

For more information, visit MOHA's website: https://zhaoyilin.github.io/moha/