ewald Directory Reference

Directory dependency graph for ewald:

Directories
directory	tests

Files
file	calculate-spline-moduli.cpp
file	calculate-spline-moduli.h
file	ewald-utils.cpp
file	ewald-utils.h
	Declares utility functions related to Ewald.
file	ewald.cpp
	This file contains function definitions necessary for computing energies and forces for the plain-Ewald long-ranged part, and the correction for overall system charge for all Ewald-family methods.
file	ewald.h
	This file contains function declarations necessary for computing energies and forces for the plain-Ewald long-ranged part, and the correction for overall system charge for all Ewald-family methods.
file	long-range-correction.cpp
file	long-range-correction.h
	This file contains function declarations necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).
file	pme-gather.cpp
file	pme-gather.h
file	pme-gpu-internal.cpp
	This file contains internal function implementations for performing the PME calculations on GPU.
file	pme-gpu-internal.h
	This file contains internal function definitions for performing the PME calculations on GPU. These are not meant to be exposed outside of the PME GPU code. As of now, their bodies are still in the common pme-gpu.cpp files.
file	pme-gpu-types.h
	Defines the GPU-agnostic PME GPU data structures (the host-side PME GPU data, and the GPU function parameters).
file	pme-gpu.cpp
	Implements high-level PME GPU functions which do not require GPU framework-specific code.
file	pme-grid.cpp
file	pme-grid.h
file	pme-internal.h
	This file contains function declarations necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).
file	pme-load-balancing.cpp
	This file contains function definitions necessary for managing automatic load balance of PME calculations (Coulomb and LJ).
file	pme-load-balancing.h
	This file contains function declarations necessary for managing automatic load balance of PME calculations (Coulomb and LJ).
file	pme-only.cpp
file	pme-pp-communication.h
	This file contains declarations and constants necessary for coordinating the communication for the offload of long-ranged PME work to separate MPI rank, for computing energies and forces (Coulomb and LJ).
file	pme-pp.cpp
	This file contains function definitions necessary for managing the offload of long-ranged PME work to separate MPI rank, for computing energies and forces (Coulomb and LJ).
file	pme-redistribute.cpp
file	pme-redistribute.h
file	pme-simd.h
file	pme-simd4.h
file	pme-solve.cpp
file	pme-solve.h
file	pme-spline-work.cpp
file	pme-spline-work.h
file	pme-spread.cpp
file	pme-spread.h
file	pme.cpp
	This file contains function definitions necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).
file	pme.h
	This file contains function declarations necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).