Code DocumentationΒΆ
The following links provide a detailed description of individual classes and methods in the EZFF package.
- EZFF - Easy forcefield fitting
- ezff.ffio - Methods to read/write forcefield files
- ezff.errors - Error calculation modules
- ezff.interfaces.vasp - Interface to VASP
- ezff.interfaces.qchem - Interface to QChem
- ezff.interfaces.gulp - Interface to GULP
- ezff.utilities.reaxff - Utility to generate forcefield templates for ReaxFF