XtsciEindir.cpp File Reference

#include "eon/XtsciEindir.h"
#include <format>
#include <limits>
#include <memory>
#include <stdexcept>
#include <vector>

Go to the source code of this file.

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

Functions
View	eonc::xtsci_eindir::eon_requirement ()
	What an eOn minimization may consume: eV, angstrom, analytic forces.
View	eonc::xtsci_eindir::rgpot_ev_angstrom ()
	rgpot producer advertising the same units and tensor contract.
bool	eonc::xtsci_eindir::compatible (const View &actual, const View &required)
	Nonzero when actual satisfies required. Schema id is never a wildcard.
bool	eonc::xtsci_eindir::abi_accepts_gradient (std::uint32_t major, std::uint32_t expected_major, std::uint64_t features)
	Major must match and the gradient feature bit must be set.
const std::string &	eonc::xtsci_eindir::provenance ()
	Stamp text from the last successful eindir bind. Empty when unused.
State *	eonc::xtsci_eindir::bind (ObjectiveFunction *objective, Eigen::VectorXd *cached)
	Borrow an ObjectiveFunction as an eindir objective.
void	eonc::xtsci_eindir::release (State *state)
int	eonc::xtsci_eindir::eval_grad (State *state, const DLManagedTensorVersioned *x, double *value, DLManagedTensorVersioned *gradient)
	One fused energy and gradient through the borrowed eindir handle.
int	eonc::xtsci_eindir::minimize (State *state, double *x, std::size_t n, std::size_t maxiter, double gtol, double istep, std::size_t memory, int method, double *value_out)
	xts_minimize_eindir on a caller-owned buffer. The caller keeps State.