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molovol / MoloVol

MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells.
https://molovol.com
MIT License
22 stars 4 forks source link

Report changes #98

Closed rlavendomme closed 3 years ago

rlavendomme commented 3 years ago

Small additions/fixes to the reported values.

Note that the volumes including outside space are tagged in the UI, calculation report file and command line output but the change was not tested in the command line output.