A module for measuring the geometric properties of molecules. The following quantities are supported:
| Quantity | function |
|---|---|
| geometric center | measure(:geometric_center,obj) |
- AUTHOR: YUHANG(STEVEN) WANG
- DATE: 03-02-2016
- LICENSE: MPL 2.0 (see LICENSE.md)
A Julia package for measure geometric properties of molecules
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UMOL/MolecularGeometry.jl
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A Julia package for measure geometric properties of molecules
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