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ePSproc: Post-processing for ePolyScat (v1.1.0)
Version 4 2019-09-03, 20:03
Version 3 2019-09-03, 15:52
Version 2 2019-09-03, 15:48
Version 1 2016-08-07, 22:15
software
posted on 2019-09-03, 20:03 authored by Paul HockettPaul HockettPost-processing suite for ePolyScat calculations.
Release v1.1.0 (30th Aug. 2019)
- Basic python functionality implemented.
- Packaged & uploaded to Pypi.
- Docs now on Read the Docs: https://epsproc.readthedocs.io
Further python codebase development is now in progress, check https://github.com/phockett/ePSproc for latest updates.
Release v1.0.0 (8th Aug. 2016)
ePSproc scripts are designed for photoionization studies, and specifically:
• Read raw photoionization matrix elements from ePS output files with "dumpIdy" segments
• Calculate MF-PADs from the matrix elements
• Plot MF-PADs
• Plot X-sects
• Read raw photoionization matrix elements from ePS output files with "dumpIdy" segments
• Calculate MF-PADs from the matrix elements
• Plot MF-PADs
• Plot X-sects
The scripts are currently written for Matlab. The distribution currently contains:
• a set of functions for processing (ePSproc*.m files)
• a script showing demo calculations, ePSproc_NO2_MFPADs_demo.m, and the benchmark results from these calculations, ePSproc_NO2_testing_summary_250915.pdf
• some additional notes on ePS photoionization matrix elements, ePSproc_scattering_theory_ePS_notes_011015.pdf.
• a set of functions for processing (ePSproc*.m files)
• a script showing demo calculations, ePSproc_NO2_MFPADs_demo.m, and the benchmark results from these calculations, ePSproc_NO2_testing_summary_250915.pdf
• some additional notes on ePS photoionization matrix elements, ePSproc_scattering_theory_ePS_notes_011015.pdf.
See GitHub project page for ongoing developments:
https://github.com/phockett/ePSproc
A software metapaper is also available:
https://www.authorea.com/users/71114/articles/122402/_show_article
