Skip to content
master
Switch branches/tags
Code

Latest commit

 

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
CLI
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Travis CI Codecov

QuESt: Quantum Energy and Stuff

A hybrid QM/MM project built on the principles of the MolSSI 2017 software summer school.

Installation

To install you first need the MolSSI 2017 Software Summer School stack. Directions can be found here.

To build the C++ side of this project, please run:

python setup.py cmake

To clean the CMake files,

python setup.py clean

To do a local install of the Python directory,

pip install -e .

Testing

Tests can be run using py.test -v.

About

The final project for the MolSSI 2017 summer school.

Resources

License

Releases

No releases published

Packages

No packages published