RDKit
Open-source cheminformatics and machine learning.
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Variables
ForceFields::CrystalFF::ETKDGForceConsts::AIO Namespace Reference
Variables
constexpr
Params
Cosine
Variable Documentation
◆
Cosine
Params
ForceFields::CrystalFF::ETKDGForceConsts::AIO::Cosine
constexpr
Initial value:
= {.distance = 2.15,
.fourthDim = 2.15,
.kTermAngle = 0.1,
.kTermImproper = .001,
.kTermTorsion = 2.15,
.etTermScaling = 0.1}
Definition at line
50
of file
TorsionPreferences.h
.
ForceFields
CrystalFF
ETKDGForceConsts
AIO
Generated on Thu Jul 9 2026 16:45:54 for RDKit by
1.13.2