RDKit
Open-source cheminformatics and machine learning.
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class to store UFF parameters for inversions More...
#include <Params.h>
Public Attributes | |
double | K |
class to store UFF parameters for inversions
Definition at line 55 of file UFF/Params.h.
double ForceFields::UFF::UFFInv::K |
Definition at line 57 of file UFF/Params.h.