OptimizerState Struct Reference

#include <energyoptimizer.h>

Public Attributes
Eigen::VectorXd	velocity
double	dt = 0.0
double	alpha = 0.0
int	nPos = 0
bool	initialized = false
bool	hybridSwitched = false
double	energy = std::numeric_limits<double>::quiet_NaN()
Eigen::VectorXd	gradient

Detailed Description

Optional persistent state for optimizeSteps. Carries FIRE's integrator state (velocity, dt, alpha, nPos) across chunks so the adaptive timestep is not reset each call. Always populated on successful return with (energy, gradient) at the final positions; callers may use those in place of an extra evaluate() to check convergence.

Set initialized=false (or default-construct) to restart cleanly. A size mismatch with positions also triggers an internal reset.

Member Data Documentation

hybridSwitched

bool hybridSwitched = false

Sticky flag set by the Hybrid algorithm once it has handed off from ABC-FIRE to L-BFGS. Reset to drive a fresh hybrid run.

---

The documentation for this struct was generated from the following file:

• energyoptimizer.h