fock matrix implementation
Project description
Description
Fock matrix calculation for H2 molecule with only S type functions considered
Installation
pip install fock_matrix
Usage
import fock_matrix from fock_matrix import overlap
Developing Fock Matrix Project
To install fock_matrix, along with the tools you need to develop and run tests, run the follwing in your virtualenv :
$ pip install -e .[dev]
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