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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. | |