Welcome to ePSproc
A post-processing suite for ePolyScat calculations, and general tool for photoionzation calculations.
Intro:
Installation:
Class demos:
Function demos:
Datastructures & IO:
Advanced/Special Topics:
Test Notebooks:
Method Development:
- Method development for geometric functions
- Method development for geometric functions pt 2: \(\beta\) parameters with geometric functions.
- Method development for geometric functions pt 3: \(\beta\) aligned-frame (AF) parameters with geometric functions.
- ePSproc LF/AF function verification & tests
- cclib + chemlab for orbital functions
- Density Matrices notes + demo (ePSproc + PEMtk dev.)
- Density Matrices
Function ref:
- epsproc package
- Subpackages
- Submodules
- Module contents