Read-only abstract for the CellGrid object. This is unused in typical MD applications, when it is always the case that the cell grid positions and atom content are being updated or forces are being accumulated, but it may be useful when the cell grid is in demand strictly as a directory of which atoms are close to one another for building or detailing some other object. The associated workspace variables are not included in this form of the abstract. More...

#include <cellgrid.h>

Collaboration diagram for stormm::energy::CellGridReader< T, Tacc, Tcalc, T4 >:

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Public Member Functions

	CellGridReader (NonbondedTheme theme_in, int system_count_in, int total_cell_count_in, int total_chain_count_in, int mesh_ticks_in, uint cell_base_capacity_in, float lpos_scale_in, float inv_lpos_scale_in, float inv_frc_scale_in, const ullint system_cell_grids_in, const Tcalc system_cell_umat_in, const T system_cell_invu_in, const T system_pmig_invu_in, const uint2 cell_limits_in, const uint chain_limits_in, const int system_chain_bounds_in, const int chain_system_owner_in, const T4 image_in, const int nonimg_atom_idx_in, const uint img_atom_idx_in, const ushort img_atom_chn_cell_in, const int nt_groups_in, const ushort relevance_in, const Tacc xfrc_in, const Tacc yfrc_in, const Tacc zfrc_in, const int xfrc_ovrf_in, const int yfrc_ovrf_in, const int zfrc_ovrf_in)
	As is other abstracts, the constructor takes a list of inputs for all member variables.

	CellGridReader (const CellGridWriter< T, Tacc, Tcalc, T4 > &cgw)

	CellGridReader (const CellGridWriter< T, Tacc, Tcalc, T4 > *cgw)


	CellGridReader (const CellGridReader &original)=default
	The const-ness of all members implicitly deletes the copy and move assignment operators, but the default copy and move constructors are valid.

	CellGridReader (CellGridReader &&original)=default

Public Attributes
const NonbondedTheme	theme

const int	system_count
	Number of systems whose spatial decompositions are stored.

const int	total_cell_count
	The total number of decomposition cells across all systems.

const int	twice_cell_count
	Twice the number of decomposition cells across all systems.

const int	total_chain_count

const int	mesh_ticks

const uint	cell_base_capacity

const float	lpos_scale

const float	inv_lpos_scale

const float	inv_frc_scale

const ullint *	system_cell_grids

const Tcalc *	system_cell_umat

const T *	system_cell_invu

const T *	system_pmig_invu

const uint2 *	cell_limits

const uint *	chain_limits

const int *	system_chain_bounds

const int *	chain_system_owner

const T4 *	image
	The array of atom coordinates and property information.

const int *	nonimg_atom_idx

const uint *	img_atom_idx

const ushort *	img_atom_chn_cell

const int *	nt_groups

const ushort *	relevance

const Tacc *	xfrc
	Accumulated Cartesian X forces on all imaged particles.

const Tacc *	yfrc
	Accumulated Cartesian Y forces on all imaged particles.

const Tacc *	zfrc
	Accumulated Cartesian Z forces on all imaged particles.

const int *	xfrc_ovrf
	Overflow bits for xfrc.

const int *	yfrc_ovrf
	Overflow bits for yfrc.

const int *	zfrc_ovrf
	Overflow bits for zfrc.

Detailed Description

template<typename T, typename Tacc, typename Tcalc, typename T4>
struct stormm::energy::CellGridReader< T, Tacc, Tcalc, T4 >

Read-only abstract for the CellGrid object. This is unused in typical MD applications, when it is always the case that the cell grid positions and atom content are being updated or forces are being accumulated, but it may be useful when the cell grid is in demand strictly as a directory of which atoms are close to one another for building or detailing some other object. The associated workspace variables are not included in this form of the abstract.