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Releases: lopesth/sp3ctrum

Sp3ctrum P4tronum 1.0.2

18 Nov 18:23
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Fixed the images bug in About US when the app runs from another directory.

UV-vis Sp3ctrum P4tronum

14 Nov 19:14
bcaf505
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UV-vis spectra simulation program from oscillator strength results. This program uses output files from the Gaussian quantum chemistry package and performs gaussian convolutions to simulate any UV-vis spectrum. This code aids molecular dynamics simulations to study the overall contribution to the UV-vis spectrum from the selected frames. It enables both overlaid and separated spectra.