RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <iostream>
#include <ForceField/Contrib.h>
#include <Geometry/point.h>
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Classes | |
class | ForceFields::UFF::PositionConstraintContrib |
A position constraint of the type 0.5k * deltaX^2. More... | |
Namespaces | |
namespace | ForceFields |
namespace | ForceFields::UFF |