Definition of QMCDriver which performs VMC and optimization. More...

Include dependency graph for QMCFixedSampleLinearOptimizeBatched.h:

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Classes
class	QMCFixedSampleLinearOptimizeBatched

struct	QMCFixedSampleLinearOptimizeBatched::LMYOptions

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Detailed Description

Definition of QMCDriver which performs VMC and optimization.

Class Documentation

struct qmcplusplus::QMCFixedSampleLinearOptimizeBatched::LMYOptions

Collaboration diagram for QMCFixedSampleLinearOptimizeBatched::LMYOptions:

Class Members
bool	block_first	whether to do the first part of block lm
bool	block_lm	whether we are doing block algorithm
bool	block_second	whether to do the second part of block lm
bool	block_third	whether to do the third part of block lm
RealType	cost_increase_tol	the tolerance to cost function increases when choosing the best shift in the adaptive shift method
OptimizerType	current_optimizer_type	type of the current optimization method, updated by processOptXML before run
bool	doHybrid	whether to use hybrid method
bool	filter_info	whether to filter parameters for the lm
bool	filter_param	whether to filter parameters for the lm
RealType	max_param_change	max amount a parameter may change relative to current wave function weight
RealType	max_relative_cost_change	the maximum relative change in the cost function for the adaptive three-shift scheme
int	nblocks	number of blocks used in block algorithm
int	nkept	number of directions kept
int	nolds	number of old updates kept
int	nsamp_comp	number of samples to do in correlated sampling part
int	num_shifts	number of shifts we will try
RealType	omega_shift	the shift to use when targeting an excited state
OptimizerType	previous_optimizer_type	type of the previous optimization method, updated by processOptXML before run
double	ratio_threshold	threshold for filtering parameters for the lm
bool	store_samples	whether to store samples for the lm
RealType	target_shift_i	the shift_i value that the adaptive shift method should aim for
bool	targetExcited	whether we are targeting an excited state