Non-bonded pair interactions

Collaboration diagram for Non-bonded pair interactions:

Description

Implements non-bonded pair interaction functionality for NxM atom clusters.

This module provides methods to, very efficiently, compute non-bonded pair interactions on CPUs as well as accelerators. It also provides a method to construct the NxM atom-cluster pair-list required for computing these non-bonded iteractions.

Files
file	atomdata.h
	Functionality for per-atom data in the nbnxm module.
file	bench_setup.h
	This file declares functions for setting up kernel benchmarks.
file	bench_system.h
	This file declares functions for setting up a benchmark system.
file	gpu_data_mgmt.h
	Declare interface for GPU data transfer for NBNXN module.
file	nbnxm.h
	This file contains the public interface of the nbnxm module that implements the NxM atom cluster non-bonded algorithm to efficiently compute pair forces.
file	nbnxm_gpu.h
	Declare interface for GPU execution for NBNXN module.
file	nbnxm_gpu_data_mgmt.h
	Declare common functions for NBNXM GPU data management.
file	pairlist_tuning.h
	Declares functions for tuning adjustable parameters for the nbnxn non-bonded search and interaction kernels.