Derived from MCWF_Trajectory, this class uses a set of reference state-vectors to project the evolved state vector on. More...

#include <ProjectingMCWF_Trajectory.h>

Inheritance diagram for quantumtrajectory::ProjectingMCWF_Trajectory< RANK >:

Collaboration diagram for quantumtrajectory::ProjectingMCWF_Trajectory< RANK >:

Public Types
typedef boost::ptr_vector< StateVector >	Basis
	The set of reference states to compare againts is stored as a `ptr_vector`

Public Types inherited from quantumtrajectory::MCWF_Trajectory< RANK >
typedef structure::Exact< RANK >	Exact

typedef structure::Hamiltonian< RANK >	Hamiltonian

typedef structure::Liouvillean< RANK >	Liouvillean

typedef structure::Averaged< RANK >	Averaged

typedef quantumdata::StateVector< RANK >	StateVector

typedef StateVector::StateVectorLow	StateVectorLow

Public Types inherited from trajectory::Adaptive< quantumdata::Types< RANK >::StateVectorLow >
typedef evolved::Evolved< quantumdata::Types< RANK >::StateVectorLow >	Evolved

Public Member Functions
template<typename SYS >
	ProjectingMCWF_Trajectory (StateVector &psi, const Basis &basis, const SYS &sys, const mcwf::Pars &p, const StateVectorLow &scaleAbs=StateVectorLow())
	The signature is identical to MCWF_Trajectory::MCWF_Trajectory, but the Basis set must be supplied as well. More...

Public Member Functions inherited from quantumtrajectory::MCWF_Trajectory< RANK >
template<typename SYS >
	MCWF_Trajectory (StateVector &psi, const SYS &sys, const mcwf::Pars &p, const StateVectorLow &scaleAbs=StateVectorLow())
	Templated constructor with the same idea as Master::Master. More...

void	derivs (double, const StateVectorLow &, StateVectorLow &) const
	The actual function calculating the time derivative for ODE evolution. More...

const StateVector &	getPsi () const

const mcwf::Logger &	getLogger () const

Public Member Functions inherited from trajectory::Adaptive< quantumdata::Types< RANK >::StateVectorLow >
void	step (double deltaT)
	corresponding to Evolved::step, it takes a single adaptive step More...

Public Member Functions inherited from trajectory::AdaptiveIO< quantumdata::Types< RANK >::StateVectorLow >
	AdaptiveIO (Ptr)

cpputils::iarchive &	readState (cpputils::iarchive &iar)
	Read in the EvolvedIO from a cpputils::iarchive. More...

cpputils::oarchive &	writeState (cpputils::oarchive &oar) const
	Write the EvolvedIO to a cpputils::oarchive.

double	getTime () const
	Returns the time of the underlying EvolvedIO.

Public Member Functions inherited from trajectory::Trajectory
void	evolve (double deltaT)
	Propagation for a time interval of exactly deltaT.

std::ostream &	display (std::ostream &, int precision) const
	Displays a limited set of relevant physical and numerical information about the actual state of Trajectory at the actual time instant. More...

std::ostream &	displayParameters (std::ostream &os) const
	print header

std::ostream &	logOnEnd (std::ostream &os) const
	print a log at the end summarizing overall (e.g. time-averaged) physical and numerical data during the run

double	getTime () const
	actual time instant

double	getDtDid () const
	last perfomed timestep

cpputils::iarchive &	readState (cpputils::iarchive &iar)
	read from an archive

cpputils::oarchive &	writeState (cpputils::oarchive &oar) const
	write to an archive

Public Member Functions inherited from trajectory::Averageable< const quantumdata::StateVector< RANK > & >
const const quantumdata::StateVector< RANK > &	toBeAveraged () const
	returns the set of quantities condensed in a variable of type `T` that are “to be averaged”

Additional Inherited Members
Protected Types inherited from quantumtrajectory::QuantumTrajectory< RANK, trajectory::Stochastic< quantumdata::Types< RANK >::StateVectorLow, const quantumdata::StateVector< RANK > & > >
typedef structure::QuantumSystemWrapper< RANK, true >	QuantumSystemWrapper

Protected Types inherited from trajectory::Adaptive< quantumdata::Types< RANK >::StateVectorLow >
typedef Evolved::ConstPtr	ConstPtr

typedef Evolved::Ptr	Ptr

Protected Member Functions inherited from quantumtrajectory::MCWF_Trajectory< RANK >
cpputils::iarchive &	readStateMore_v (cpputils::iarchive &iar) override
	Forwards to QuantumTrajectory::readStateMore_v (that involves setting `t0`) + serializes mcwf::Logger state.

cpputils::oarchive &	writeStateMore_v (cpputils::oarchive &oar) const override
	Forwards to Base::writeStateMore_v + serializes mcwf::Logger state.

std::ostream &	logOnEnd_v (std::ostream &os) const override
	calls mcwf::Logger::onEnd

Protected Member Functions inherited from quantumtrajectory::QuantumTrajectory< RANK, trajectory::Stochastic< quantumdata::Types< RANK >::StateVectorLow, const quantumdata::StateVector< RANK > & > >
	QuantumTrajectory (typename structure::QuantumSystem< RANK >::Ptr qs, bool isNoisy, ArgumentPack &&...argumentPack)
	Constructor forwarding to `BASE` and QuantumSystemWrapper.

const QuantumSystemWrapper	getQSW () const

cpputils::iarchive &	readStateMore_v (cpputils::iarchive &iar) override
	Forwards to `BASE`, but also sets `t0`.

double	getT0 () const
	The time instant of the beginning of the current time step. More...

void	setT0 (double t0) const
	The time instant of the beginning of the current time step. More...

void	setT0 () const
	The time instant of the beginning of the current time step. Sets to the current time.

void	checkDimension (const CONSTRUCT &construct) const
	Check the dimensions of the stored quantum system against `construct` More...

Protected Member Functions inherited from trajectory::Stochastic< quantumdata::Types< RANK >::StateVectorLow, const quantumdata::StateVector< RANK > & >
std::ostream &	displayParameters_v (std::ostream &) const override

	Stochastic (quantumdata::Types< RANK >::StateVectorLow &, typename Evolved::Derivs, double dtInit, double epsRel, double epsAbs, const quantumdata::Types< RANK >::StateVectorLow &scaleAbs, const evolved::Maker< quantumdata::Types< RANK >::StateVectorLow > &, unsigned long seed, bool noise, const randomized::Maker &)
	Straightforward constructor combining the construction of Adaptive and randomized::Randomized.

	Stochastic (quantumdata::Types< RANK >::StateVectorLow &, typename Evolved::Derivs, double dtInit, const quantumdata::Types< RANK >::StateVectorLow &scaleAbs, const ParsStochastic &, const evolved::Maker< quantumdata::Types< RANK >::StateVectorLow > &, const randomized::Maker &)

const RandomizedPtr	getRandomized () const

bool	isNoisy () const

cpputils::oarchive &	writeStateMore_v (cpputils::oarchive &oar) const override
	hook into Trajectory::writeState

Protected Member Functions inherited from trajectory::Adaptive< quantumdata::Types< RANK >::StateVectorLow >
	Adaptive (quantumdata::Types< RANK >::StateVectorLow &, typename Evolved::Derivs, double, double, double, const quantumdata::Types< RANK >::StateVectorLow &, const evolved::Maker< quantumdata::Types< RANK >::StateVectorLow > &)
	Constructor taking the same parameters as needed to operate evolved::Maker.

	Adaptive (quantumdata::Types< RANK >::StateVectorLow &, typename Evolved::Derivs, double, const ParsEvolved &, const quantumdata::Types< RANK >::StateVectorLow &, const evolved::Maker< quantumdata::Types< RANK >::StateVectorLow > &)

const std::string	trajectoryID () const
	redirected to a pure virtual, this is needed for serialization of trajectory metadata

std::ostream &	displayParameters_v (std::ostream &) const override

const ConstPtr	getEvolved () const

const Ptr	getEvolved ()

double	getDtTry () const

Protected Member Functions inherited from trajectory::AdaptiveIO< quantumdata::Types< RANK >::StateVectorLow >
const Ptr	getEvolvedIO () const
	note: not the same const-correctness as in Adaptive

Protected Attributes inherited from trajectory::AdaptiveIO< quantumdata::Types< RANK >::StateVectorLow >
SerializationMetadata	meta_

Related Functions inherited from trajectory::Trajectory
void	run (Trajectory &trajectory, double time, double deltaT, unsigned sdf, const std::string &ofn, const std::string &initialFileName, int precision, bool displayInfo, bool firstStateDisplay, double autoStopEpsilon, unsigned autoStopRepetition, const std::string &parsedCommandLine)
	Running in deltaT mode (displays in equal time intervals) for a certain time. More...

void	run (Trajectory &, long nDt, double deltaT, unsigned sdf, const std::string &ofn, const std::string &initialFileName, int precision, bool displayInfo, bool firstStateDisplay, double autoStopEpsilon, unsigned autoStopRepetition, const std::string &parsedCommandLine)
	Same as above but runs for a certain number of time intervals deltaT. More...

void	run (Trajectory &, const ParsRun &p)
	Dispatcher. More...

Detailed Description

template<int RANK>
class quantumtrajectory::ProjectingMCWF_Trajectory< RANK >

Derived from MCWF_Trajectory, this class uses a set of reference state-vectors to project the evolved state vector on.

The aim is to compare the evolved state against a certain set (eventually, a complete basis) of reference states. This might form a nonorthogonal set, so that we adopt the Non-orthogonal basis sets covariant-contravariant formalism.

See also: This possibility was first developed for our paper Ref. [10]

The projections (the elements of the state vector in the given basis – that might not add up to 1 if the basis is incomplete) are displayed in addition to each trajectory display. The key is supplemented accordingly.

Definition at line 28 of file ProjectingMCWF_Trajectory.h.

Constructor & Destructor Documentation

template<int RANK>

template<typename SYS >

quantumtrajectory::ProjectingMCWF_Trajectory< RANK >::ProjectingMCWF_Trajectory	(	StateVector &	psi,
		const Basis &	basis,
		const SYS &	sys,
		const mcwf::Pars &	p,
		const StateVectorLow &	scaleAbs = `StateVectorLow()`
	)

inline

The signature is identical to MCWF_Trajectory::MCWF_Trajectory, but the Basis set must be supplied as well.

Parameters

basis the set of reference states to compare the MCWF-evolved state vector against

Definition at line 41 of file ProjectingMCWF_Trajectory.h.

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

quantumtrajectory/ProjectingMCWF_Trajectory.h

Public Types

Public Member Functions

Additional Inherited Members

Detailed Description

template<int RANK> class quantumtrajectory::ProjectingMCWF_Trajectory< RANK >

Constructor & Destructor Documentation

template<int RANK>
class quantumtrajectory::ProjectingMCWF_Trajectory< RANK >