turbomoleio icon indicating copy to clipboard operation
turbomoleio copied to clipboard

Energy Decomposition Analysis output parsing

Open WentongZhou opened this issue 2 years ago • 1 comments

Hi there,

It is nice to see a package doing parsing work for Turbomole output files. Could you consider adding a new function to parse the EDA data from the Turbomole output file?

Thanks, Wentong

WentongZhou avatar Jan 27 '23 14:01 WentongZhou