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
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Crystal unit cell #52

Closed rlavendomme closed 3 years ago

rlavendomme commented 3 years ago

Added features related to crystal unit cell analysis (see issue #48 ). Additionally, I added few parameters in the GUI for future features (such as probe mode and probes radii) and added a source file for functions related to file creation (e.g. report).

All the geometric calculations are complicated. Reviewing these parts of the code could prove difficult or extremely time consuming. I would suggest to not change any part under the CRYSTAL UNIT CELL PROCESSING FUNCTIONS section of model.cpp.