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sakul-45 16b5948a36 Sigma and output type are optional arguments now. Also added an option to store calculated spectra as csv files.

2022-03-03 23:32:02 +01:00

Sigma and output type are optional arguments now. Also added an option to store calculated spectra as csv files.

2022-03-03 23:32:02 +01:00

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exspectrum

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2022-02-20 18:39:04 +01:00

exspectrum_plotter.py

Sigma and output type are optional arguments now. Also added an option to store calculated spectra as csv files.

2022-03-03 23:32:02 +01:00

LICENSE

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2022-02-20 18:52:24 +01:00

README.md

updating README

2022-02-20 18:56:53 +01:00

requirements.txt

Sigma and output type are optional arguments now. Also added an option to store calculated spectra as csv files.

2022-03-03 23:32:02 +01:00

README.md

AMM

git repo for PyCharm project of the AMM course

exspectrum_plotter

Python function for creating plots of excitation spectra calculated by the Turbomole function escf. It requires the packages numpy, pandas, matplotlib and pathlib.