Collection of python tools for interacting with VASP
This project aims to create a one-stop shop for all my python+VASP needs.
There already exists many excellent tools to interact with VASP from python (FireWorks, Pymatgen, ASE); these tools must still be properly integrated into tailored solutions for my needs.
- Here I want to develop and curate a suite of tools that I can use to perform
- task submission
- data extraction
- analysis
leveraging existing technology, with nothing else in mind than my own convenience.
I know Pymatgen+Custodian+Fireworks (as MPworks) does everything better/faster/stronger/scooter, but I want to understand what I'm doing, and I want to launch jobs yesterday, not six months from now. I can introduce sophistication progessively as I run useful computations, instead of drinking from the MPworks firehose.