OpenMD 3.1
Molecular Dynamics in the Open
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Multi-dimensional Conjugate Gradient class. More...
#include <ConjugateGradient.hpp>
Public Member Functions | |
ConjugateGradient (LineSearch *lineSearch=NULL) | |
Public Member Functions inherited from QuantLib::LineSearchBasedMethod | |
LineSearchBasedMethod (LineSearch *lSearch=NULL) | |
virtual EndCriteria::Type | minimize (Problem &P, const EndCriteria &endCriteria, RealType initialStepSize) |
minimize the optimization problem P | |
Additional Inherited Members | |
Protected Attributes inherited from QuantLib::LineSearchBasedMethod | |
LineSearch * | lineSearch_ |
line search | |
Multi-dimensional Conjugate Gradient class.
Fletcher-Reeves-Polak-Ribiere algorithm adapted from Numerical Recipes in C, 2nd edition.
User has to provide line-search method and optimization end criteria. Search direction \( d_i = - f'(x_i) + c_i*d_{i-1} \) where \( c_i = ||f'(x_i)||^2/||f'(x_{i-1})||^2 \) and \( d_1 = - f'(x_1) \)
Definition at line 42 of file ConjugateGradient.hpp.
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inline |
Definition at line 44 of file ConjugateGradient.hpp.