phockett / ePSproc

Post-processing of ePolyScat calculations
GNU General Public License v3.0
5 stars 3 forks source link

Segment types #10

Open phockett opened 5 years ago

phockett commented 5 years ago

Just added EDCS segment support to python code (dev branch).

TO DO:

phockett commented 5 years ago

Added CrossSection data type. Added util function to return data type dictionary.

phockett commented 5 years ago

Debugged CrossSection data type + added demo notebook. Working... but may need to rationalise dims by comparison with dumpIdy data - specifically some missing symmetry labels and Ehv vs Eke and conversion.