tools for material modeling
MMtools is a toolkit for automatic material modeling and analysis, interfaced with the popular DFT package Vasp, and built with pymatgen.
- High-throughput preperation of input files for various materials modeling tasks, including charged molecule, solid solution, strained structures, point defect ....
What things you need to install the software and how to install them
Give examples
A step by step series of examples that tell you how to get a development env running
Say what the step will be
Give the example
And repeat
until finished
End with an example of getting some data out of the system or using it for a little demo
Explain how to run the automated tests for this system
Explain what these tests test and why
Give an example
Explain what these tests test and why
Give an example
Add additional notes about how to deploy this on a live system
- Dropwizard - The web framework used
- Maven - Dependency Management
- ROME - Used to generate RSS Feeds
Please read CONTRIBUTING.md for details on our code of conduct, and the process for submitting pull requests to us.
We use SemVer for versioning. For the versions available, see the tags on this repository.
- Billie Thompson - Initial work - PurpleBooth
See also the list of contributors who participated in this project.
This project is licensed under the MIT License - see the LICENSE.md file for details
- Hat tip to anyone whose code was used
- Inspiration
- etc