stormm::energy::PsSynthesisBorders Struct Reference

A read-only abstract for the system demarcations in the object. This information is sometimes critical, and needed on the CPU host even as the general abstract is needed on the GPU device. More...

#include <phasespace_synthesis.h>

Public Member Functions
	PsSynthesisBorders (int system_count_in, const int *atom_starts_in, const int *atom_counts_in, const double *umat_in, const double *invu_in)
	The constructor accepts the total number of systems as well as pointers to the number of atoms and starting indices and box transformations of each system.
	PsSynthesisBorders (const PsSynthesisBorders &original)=default
	Copy and move constructors–as with any object containing const members, the move assignment operator is implicitly deleted.
	PsSynthesisBorders (PsSynthesisBorders &&other)=default

Public Attributes
const int	system_count
const int *	atom_starts
	Starting indices for the atoms of each system.
const int *	atom_counts
	Atom counts for each system.
const double *	umat
const double *	invu

Detailed Description

A read-only abstract for the system demarcations in the object. This information is sometimes critical, and needed on the CPU host even as the general abstract is needed on the GPU device.

Member Data Documentation

invu

const double* stormm::synthesis::PsSynthesisBorders::invu

Inverse transformation matrices for each system taking fractional coordinates into real space

system_count

const int stormm::synthesis::PsSynthesisBorders::system_count

The total number of systems in the object, and the trusted length of each of the arrays below

umat

const double* stormm::synthesis::PsSynthesisBorders::umat

Transformation matrices for each system taking real coordinates into fractional space

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

• src/Synthesis/phasespace_synthesis.h
• src/Synthesis/phasespace_synthesis.cpp