Exatomic
A unified platform for theoretical and computational chemists
This package provides a platform for computational and theoretical chemists and physicists to parse, process, analyze, and visualize data coming from quantum mechanics calculations. Included in this package are sub-packages dedicated to parsing data from software programs used in the field. A quick method to get started with visualization is through the Jupyter notebook.
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exatomic
- exatomic package
- Supported Software
func_log()- Subpackages
- exatomic.adf package
- exatomic.algorithms package
- exatomic.core package
- exatomic.exa package
- exatomic.gaussian package
- exatomic.interfaces package
- exatomic.molcas package
- exatomic.nbo package
- exatomic.nwchem package
- exatomic.plotter package
- exatomic.qchem package
- exatomic.qe package
- exatomic.util package
- exatomic.widgets package
- Submodules