Repository for generic Python materials science tools
Python C++ C Shell
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Latest commit 90fce85 May 10, 2018

README.md

matscipy

This repository contains generic Python materials science tools build around the Atomic Simulation Environment (ASE).

Build status

Build Status

Compilation/installation follows the standard distutils route:

python setup.py build
python setup.py install

If building on Mac OS X, we recommend you use the GCC toolchain

CC=gcc CXX=g++ python setup.py build

Documentation

Sphinx-generated documentation for the project can be found here.

Dependencies

The package requires

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