BerkeleyGW Tools Copyright (C) 2011 Felipe Homrich da Jornada

This python package provides a set of abstraction classes and tools to convert, analyze and hack BerkeleyGW-related data.

INSTALL

1. Extract this repository to a directory DIR. If you wish to clone the repository (recommended), do something like:

   $ cd ~/ $ git clone https://[email protected]/jornada/berkeleygw-tools.git bgw-tools

   where user is your bitbucket username. In this example, DIR=$HOME/bgw-tools

2. Add the following line to your ~/.bashrc or ~/.zshrc: export PYTHONPATH=${PYTHONPATH}:DIR

TEST

To test the installation, follow these steps:

1. Open a new terminal (or type ". ~/.bashrc" or ". ~/.zshrc")
2. Go to a directory with a BGW-compatible WFN
3. Lunch python
4. Type from bgwtools.IO.wfn import wfnIO wfn = wfnIO('WFN') print wfn
5. If you don't see some neat stuff, see step (2) of the INSTALL part.
6. Happy BerkeleyGW hacking :-)