t_forcetable Struct Reference

#include <gromacs/tables/forcetable.h>

Description

Structure describing the data in a single table.

Public Member Functions
	t_forcetable (TableInteraction interaction, TableFormat format)

Public Attributes
TableInteraction	interaction_
	Types of interactions stored in this table.
TableFormat	format_
	Interpolation type and data format.
real	interactionRange
	range of the table
int	numTablePoints
	n+1 is the number of table points
real	scale
	distance (nm) between two table points
std::vector< real, gmx::AlignedAllocator< real > >	data
	The actual table data.
int	numInteractions
	Number of interactions in table, 1 for coul-only, 3 for coul+rep+disp.
int	stride
	Distance to next table point (number of fp variables per table point in total)

Static Public Attributes
static constexpr int	formatsize = 4
	Number of fp variables for each table point (1 for F, 2 for VF, 4 for YFGH, etc.), only YFGH is implemented.

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

• src/gromacs/tables/forcetable.h
• src/gromacs/tables/forcetable.cpp