UIestimator::UIestimator Class Reference

Collaboration diagram for UIestimator::UIestimator:

Public Member Functions
	UIestimator (colvarmodule *cvmodule_in, const std::vector< double > &lowerboundary_in, const std::vector< double > &upperboundary_in, const std::vector< double > &width_in, const std::vector< double > &krestr_in, const std::string &output_filename_in, const bool restart_in, const std::vector< std::string > &input_filename_in, const double temperature_in)
bool	update (cvm::step_number, std::vector< double > x, std::vector< double > y)
void	update_output_filename (const std::string &filename)
void	calc_pmf ()
void	calc_1D_pmf ()
void	write_1D_pmf ()
void	writehead (std::ostream &os) const
void	write_interal_data ()
void	write_files ()
void	read_inputfiles (const std::vector< std::string > filename)

Public Attributes
colvarmodule *	cvmodule

Private Attributes
std::vector< n_vector< double > >	sum_x
std::vector< n_vector< double > >	sum_x_square
n_vector< int >	count_y
n_matrix	distribution_x_y
int	dimension
std::vector< double >	lowerboundary
std::vector< double >	upperboundary
std::vector< double >	width
std::vector< double >	krestr
std::string	output_filename
bool	restart
std::vector< std::string >	input_filename
double	temperature
n_vector< std::vector< double > >	grad
n_vector< int >	count
n_vector< double >	oneD_pmf
n_vector< std::vector< double > >	input_grad
n_vector< int >	input_count
std::vector< n_vector< double > >	x_av
std::vector< n_vector< double > >	sigma_square
bool	written
bool	written_1D

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

• colvar_UIestimator.h