RDKit
Open-source cheminformatics and machine learning.
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class to store UFF parameters for van der Waals interactions More...
#include <Params.h>
Public Attributes | |
double | x_ij |
double | D_ij |
class to store UFF parameters for van der Waals interactions
Definition at line 61 of file UFF/Params.h.
double ForceFields::UFF::UFFVdW::D_ij |
Definition at line 64 of file UFF/Params.h.
double ForceFields::UFF::UFFVdW::x_ij |
Definition at line 63 of file UFF/Params.h.