UpdateFunctionManager.h File Reference

#include <Swoose/MolecularMechanics/SFAM/SfamMolecularMechanicsCalculator.h>
#include <Utils/Optimizer/LeastSquares/UpdateFunctionManagerBase.h>
#include <memory>

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Classes
class	Scine::MMParametrization::UpdateFunctionManager

Enumerations
enum	ParameterToOptimize { Bond = (1 << 0), Angle = (1 << 1), Dihedral = (1 << 2), ImproperDihedral = (1 << 3) }
	The types of parameters are assigned a bit each to switch them on if they are present in the parameters being optimized.

Functions
constexpr ParameterToOptimize	Scine::MMParametrization::operator| (ParameterToOptimize p1, ParameterToOptimize p2)
	Returns a ParameterToOptimize object that is the superset of the two values given as argument.

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.