nomad

Nonadiabatic Multistate Adaptive Dynamics

Created Nov. 11, 2015 -- M.S. Schuurman

Requirements

Requires at least Python 3.3, NumPy v1.7.0, SciPy v0.12.0, cython-0.28.3, and MPI4Py v2.0.0. The Anaconda package distrubution is suggested.

Additionally, you need the openmpi headers.

`bash sudo apt-get install libopenmpi-dev`

Installation

To create a local nomad directory and compile, use:

$ git clone https://github.com/mschuurman/nomad.git
$ cd nomad
$ python setup.py install

This will also install the nomad driver (nomad.py) to the path.