Module PBCUutil

Collaboration diagram for Module PBCUutil:

Description

A brief description for Module PBCUutil.

Files
file	com.cpp
	Implements helper methods to place particle COM in boxes.
file	com.h
	Helper methods to place particle COM in boxes.
file	pbc_aiuc.h
	Structure and basic routines to handle periodic boundary conditions.
file	pbc_aiuc_hip.h
	Basic routines to handle periodic boundary conditions with HIP.
file	pbc_aiuc_sycl.h
	Basic routines to handle periodic boundary conditions with SYCL.
file	pbc_simd.h
	This file contains a definition, declaration and inline function for SIMD accelerated PBC calculations.
file	pbcenums.h
	Defines enum classes for centering and unit cell types.
file	pbc_simd.cpp
	This file defines a low-level function for SIMD PBC calculation.
file	pbcenums.cpp
	Implements getters for enum names.
file	com.cpp
	Tests COM handling code.
file	mshift.cpp
	Tests for the graph functionality to make molecules whole that are broken over pbc.
file	pbc.cpp
	Tests PBC code.
file	pbcenums.cpp
	Tests PBC enumerations.