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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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