phy-tools

Installation kit for material simulation tools. Currently supports:

• VASP

In progress:

• Siesta
• Quantum ESPRESSO

How to use this tool

Prerequisites

It is only tested with Ubuntu 18.04 and Python 3. Rest of the platforms may or may not work.

Steps to install

sudo apt install -y python3-pip
pip3 install virtualenv
git clone https://github.com/lalluanthoor/phy-tools.git
cd phy-tools
python3 -m virtualenv venv
. venv/bin/activate
pip3 install .
phy-tools --help