Interactions between lists of particles

Collaboration diagram for Interactions between lists of particles:

Description

Handles computing energies and forces for listed interactions.

Located here is the the code for

• computing energies and forces for interactions between a small number of particles, e.g bonds, position restraints and listed non-bonded interactions (e.g. 1-4).
• high-level functions used by mdrun for computing a set of such quantities
• managing thread-wise decomposition, thread-local buffer output, and reduction of output data across threads.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Files
file	listed-forces.h
	This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.