Wavemol.org provides software for computational chemists, under free licenses.
Python libraries
The wavemol python library is organized in modules:
- wavemol.core : general purpose functionality. All modules depend on it.
- wavemol.fileaccess : read/write interfaces to frequently used file formats
- wavemol.parsers : tokenizer parsers for output files produced by computational chemistry software
- wavemol.math : allows mathematical and geometrical operation with ease
To keep updated on the latest releases, visit the Launchpad branch for Wavemol.
3rd party computational chemistry code
Wavemol hosts third party code released under free licenses.
- p4VASP : A visualisation program for the Vienna Ab-initio Simulation Package (VASP)