AMMBER_python

AMMBER_python is a utility for extracting free-energy data and formatting it for use in phase-field simulation codes.

Quick Start Guide

Install:

To install the AMMBER Python package, you can use pip. First, ensure your pip is up to date:

python -m pip install --upgrade pip
pip install ammber

Installing from Source:

If you want to install the package directly from the source code, follow these steps:

1. Clone the repository:

   git clone https://github.com/UMThorntonGroup/AMMBER_python.git
   cd AMMBER_python
   

2. Upgrade pip and install the package:

   python -m pip install --upgrade pip
   pip install .
   

Development Installation:

For development purposes, you can install the package in editable mode:

1. Clone the repository:

   git clone https://github.com/UMThorntonGroup/AMMBER_python.git
   cd AMMBER_python
   

2. Upgrade pip and install in editable mode:

   python -m pip install --upgrade pip
   pip install -e .
   

Dependencies:

AMMBER requires the following Python packages:

• numpy
• scipy
• pycalphad

These dependencies will be installed automatically when using pip install ammber. If you encounter issues, you can manually install them using:

pip install numpy scipy pycalphad

License:

MIT License.

Links

AMMBER_python Repository
AMMBER-PRISMS-PF Repository