#include <triqs/mc_tools/mc_move.hpp>

Detailed Description

template<DoubleOrComplex MCSignType>
class triqs::mc_tools::move< MCSignType >

Type erasure class for MC moves.

It takes any type that models the triqs::mc_tools::MCMove concept and erases its type.

The sign of the new configuration, if accepted, is calculated as new_sign = old_sign * sgn(attempt()) * accept(). If attempt() returns the full MC acceptance ratio (including all signs), then accept() should always return \( 1 \). Otherwise, the calculation of the sign can be partially or fully done in the accept() method.

Optionally, the following methods can be defined:

reject(): Callback function if the previously proposed move is rejected.
calibrate(mpi::communicator const &): Calibrates the move. Usually done during the warm-up phase.
collect_statistics(mpi::communicator const &): Collects statistics from multiple MPI processes.

Optionally, the following free functions can be defined:

h5_write(h5::group, std::string const &, T const &) const: Writes the move object of type T to HDF5.
h5_read(h5::group, std::string const &, T &): Reads the move object of type T from HDF5.

Template Parameters

MCSignType Type of the sign/weight of a MC configuration (triqs::mc_tools::DoubleOrComplex).

Definition at line 68 of file mc_move.hpp.

Public Member Functions
	move (move &&)=default
	Default move constructor leaves the moved from object in an empty state.
	move (move const &)=delete
	Deleted copy constructor.
template<typename T> requires (MCMove<T, MCSignType> && !std::is_same_v<T, move>)
	move (T m)
	Constructor takes an object that models the triqs::mc_tools::MCMove concept and erases its type.
MCSignType	accept ()
	Accept the new MC configuration.
auto	acceptance_rate () const
	Get the acceptance rate of the move. You need to call collect_statistics() first.
MCSignType	attempt ()
	Propose a new MC configuration.
void	calibrate (mpi::communicator const &c)
	Optional callback function to calibrate the move.
void	clear_statistics ()
	Reset the gathered statistics to their initial states.
void	collect_statistics (mpi::communicator const &c)
	Collect statistics from multiple MPI processes.
double	duration () const
	Get the duration of the cumulative attempt(), accept(), and reject() calls.
std::map< std::string, double >	get_acceptance_rates () const
	Get the acceptance rates of all moves in case it is a move set.
std::string	get_statistics (std::string const &name, std::string const &prefix="") const
	Get a formatted string showing the statistics of the move (and other moves if it is a move set).
std::string	get_timings (std::string const &name, std::string const &prefix="") const
	Get a formatted string showing the runtime of the move.
auto	is_set () const
	Is the move object a move set?
auto	n_accepted_config () const
	Get the number of accepted configurations, i.e. the number of times accept() has been called.
auto	n_proposed_config () const
	Get the number of proposed configurations, i.e. the number of times attempt() has been called.
move &	operator= (move &&)=default
	Default move assignment operator leaves the moved from object in an empty state.
move &	operator= (move const &)=delete
	Deleted copy assignment operator.
void	reject ()
	Optional callback function if the proposed move is rejected.

Friends
void	h5_read (h5::group g, std::string const &name, move &m)
	Read the move object from HDF5.
void	h5_write (h5::group g, std::string const &name, move const &m)
	Write the move object to HDF5.

Constructor & Destructor Documentation

◆ move()

template<DoubleOrComplex MCSignType>

template<typename T>
requires (MCMove<T, MCSignType> && !std::is_same_v<T, move>)

triqs::mc_tools::move< MCSignType >::move ( T m )

inline

Constructor takes an object that models the triqs::mc_tools::MCMove concept and erases its type.

Template Parameters

T	Original type of the MC move object.

Parameters

m	MC move object to have its type erased.

Definition at line 140 of file mc_move.hpp.

Member Function Documentation

◆ accept()

template<DoubleOrComplex MCSignType>

MCSignType triqs::mc_tools::move< MCSignType >::accept ( )

inline

Accept the new MC configuration.

Returns: A possible sign correction to the acceptance ratio returned by attempt().

Definition at line 170 of file mc_move.hpp.

◆ attempt()

template<DoubleOrComplex MCSignType>

MCSignType triqs::mc_tools::move< MCSignType >::attempt ( )

inline

Propose a new MC configuration.

Returns: The acceptance ratio of the proposed move.

Definition at line 158 of file mc_move.hpp.

◆ calibrate()

template<DoubleOrComplex MCSignType>

void triqs::mc_tools::move< MCSignType >::calibrate ( mpi::communicator const & c )

inline

Optional callback function to calibrate the move.

Does nothing if the original type does not implement a calibrate(mpi::communicator const &) method.

Parameters

c	MPI communicator.

Definition at line 193 of file mc_move.hpp.

◆ clear_statistics()

template<DoubleOrComplex MCSignType>

void triqs::mc_tools::move< MCSignType >::clear_statistics ( )

Reset the gathered statistics to their initial states.

If the move is a move set, it calls the clear_statistics() method for all moves in the set.

Definition at line 44 of file mc_move.cpp.

◆ collect_statistics()

template<DoubleOrComplex MCSignType>

void triqs::mc_tools::move< MCSignType >::collect_statistics ( mpi::communicator const & c )

Collect statistics from multiple MPI processes.

It sets the total (over all MPI processes) acceptance rate and optionally calls the collect_statistics(mpi::communicator const &) method of the original type.

Parameters

c	MPI communicator.

Definition at line 37 of file mc_move.cpp.

◆ get_acceptance_rates()

template<DoubleOrComplex MCSignType>

std::map< std::string, double > triqs::mc_tools::move< MCSignType >::get_acceptance_rates ( ) const

inlinenodiscard

Get the acceptance rates of all moves in case it is a move set.

Returns: std::map containing the names of the moves and their acceptance rates if the move is a move set, otherwise an empty map.

Definition at line 246 of file mc_move.hpp.

◆ get_statistics()

template<DoubleOrComplex MCSignType>

std::string triqs::mc_tools::move< MCSignType >::get_statistics	(	std::string const &	name,
		std::string const &	prefix = "" ) const

nodiscard

Get a formatted string showing the statistics of the move (and other moves if it is a move set).

Parameters

name	Name of the move.
prefix	Prefix string to be added to the beginning of each line.

Returns: String containing the number of proposed and accepted configurations and the acceptance rate.

Definition at line 52 of file mc_move.cpp.

◆ get_timings()

template<DoubleOrComplex MCSignType>

std::string triqs::mc_tools::move< MCSignType >::get_timings	(	std::string const &	name,
		std::string const &	prefix = "" ) const

nodiscard

Get a formatted string showing the runtime of the move.

Parameters

name	Name of the move.
prefix	Prefix string to be added to the beginning of each line.

Returns: String containing the duration of the move calls.

Definition at line 61 of file mc_move.cpp.

◆ reject()

template<DoubleOrComplex MCSignType>

void triqs::mc_tools::move< MCSignType >::reject ( )

inline

Optional callback function if the proposed move is rejected.

Does nothing if the original type does not implement a reject() method.

Definition at line 182 of file mc_move.hpp.

◆ h5_read

template<DoubleOrComplex MCSignType>

void h5_read	(	h5::group	g,
		std::string const &	name,
		move< MCSignType > &	m )

friend

Read the move object from HDF5.

Does nothing if there is no specialized h5_read function for the original move object.

Parameters

g	h5::group to be read from.
name	Name of the dataset/subgroup.
m	Move object to be read into.

Definition at line 271 of file mc_move.hpp.

◆ h5_write

template<DoubleOrComplex MCSignType>

void h5_write	(	h5::group	g,
		std::string const &	name,
		move< MCSignType > const &	m )

friend

Write the move object to HDF5.

Does nothing if there is no specialized h5_write function for the original move object.

Parameters

g	h5::group to be written to.
name	Name of the dataset/subgroup.
m	Move object to be written.

Definition at line 260 of file mc_move.hpp.

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

triqs/mc_tools/mc_move.hpp
triqs/mc_tools/mc_move.cpp

Detailed Description

Public Member Functions

Friends

Constructor & Destructor Documentation

◆ move()

Member Function Documentation

◆ accept()

◆ attempt()

◆ calibrate()

◆ clear_statistics()

◆ collect_statistics()

◆ get_acceptance_rates()

◆ get_statistics()

◆ get_timings()

◆ reject()

Friends And Related Symbol Documentation

◆ h5_read

◆ h5_write