nomad

Nonadiabatic Multistate Adaptive Dynamics

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

Requirements

Requires at least Python 3.4, NumPy v1.7.0, SciPy v0.12.0, H5Py v2.5.0 and MPI4Py v2.0.0. The Anaconda package distrubution is strongly suggested.

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_driver) and the checkpoint file extractor (nomad_extract) to the path.