RDKit
Open-source cheminformatics and machine learning.
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#include <Params.h>
Public Attributes | |
double | r0 |
double | chi |
class to store covalent radius and Pauling electronegativity values for MMFF bond stretching empirical rule
Definition at line 98 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFCovRadPauEle::chi |
Definition at line 101 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFCovRadPauEle::r0 |
Definition at line 100 of file MMFF/Params.h.