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FiniteDifference.h File Reference
#include "Eigen.h"
#include <cctype>
#include <string>
#include <string_view>

Go to the source code of this file.

Namespaces

namespace  eonc
 RAII resource manager for the ARTn C library with global synchronization.

Enumerations

enum class  eonc::FdScheme { eonc::OneSided , eonc::Central , eonc::Fourth }
 Real finite-difference scheme for the assembled Hessian and for Lanczos/Davidson Hessian-vector products. More...

Functions

FdScheme eonc::parseFdScheme (std::string_view scheme)
template<class M>
M eonc::fdForceDerivative (FdScheme scheme, double dr, const M &f0, const M &fPlus, const M &fMinus, const M &fPlus2, const M &fMinus2)
 Derivative of a sampled force map along one real step of length dr.
template<class Eval>
VectorXd eonc::fdHessianVector (FdScheme scheme, double dr, const VectorXd &force0, Eval &&eval)
 Energy Hessian-vector product -dF.