Read-only abstract for the ScoreCard object. This is needed more for completeness than anything else, but could be useful in cases where virials are to be translated into rescaling coefficients on the GPU and then immediately used to rescale positions in a Berendsen barostatting situation. More...

#include <scorecard.h>

Public Member Functions
	ScoreCardReader (int system_count_in, int data_stride_in, int sampled_step_count_in, float nrg_scale_f_in, double nrg_scale_lf_in, float inverse_nrg_scale_f_in, double inverse_nrg_scale_lf_in, const int time_steps_in, const llint instantaneous_accumulators_in, const double running_accumulators_in, const double squared_accumulators_in, const llint *time_series_in)
	The constructor is, as usual, a collection of the relevant constants and pointers.


	ScoreCardReader (const ScoreCardReader &original)=default
	Take only the default copy constructor and copy assignemnt operator for this struct with const elements.

	ScoreCardReader (ScoreCardReader &&original)=default

Public Attributes
const int	system_count
	Number of independent systems tracked.

const int	data_stride

const int	sampled_step_count

const float	nrg_scale_f
	Conversion factor for fixed-precision accumulation.

const double	nrg_scale_lf
	Conversion factor for fixed-precision accumulation.

const float	inverse_nrg_scale_f
	Conversion for fixed-precision interpretation.

const double	inverse_nrg_scale_lf
	Conversion for fixed-precision interpretation.

const int *	time_steps

const llint *	instantaneous_accumulators
	State variables for each system.

const double *	running_accumulators
	Running sums of state variables for each system.

const double *	squared_accumulators

const llint *	time_series

Detailed Description

Read-only abstract for the ScoreCard object. This is needed more for completeness than anything else, but could be useful in cases where virials are to be translated into rescaling coefficients on the GPU and then immediately used to rescale positions in a Berendsen barostatting situation.

Member Data Documentation

◆ data_stride

const int stormm::energy::ScoreCardReader::data_stride

Size of the StateVariable enumerator rounded up to the nearest multiple of the HPC warp size

◆ sampled_step_count

const int stormm::energy::ScoreCardReader::sampled_step_count

The number of steps in the sample (a nice result is that updating this member variable in the parent ScoreCard right before making the abstract can send this data to the GPU)

◆ squared_accumulators

const double* stormm::energy::ScoreCardReader::squared_accumulators

Running squared sums of state variables for each system

◆ time_series

const llint* stormm::energy::ScoreCardReader::time_series

Details of energy values in each component's accumulator at each time step

◆ time_steps

const int* stormm::energy::ScoreCardReader::time_steps

Time steps in the simulation at which each energy sample was taken

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

src/Potential/scorecard.h
src/Potential/scorecard.cpp

Public Member Functions