ewald Directory Reference

Directory dependency graph for ewald:

Directories
directory	tests

Files
file	calculate_spline_moduli.cpp
file	calculate_spline_moduli.h
file	ewald.cpp
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	ewald_utils.cpp
file	ewald_utils.h
	Declares utility functions related to Ewald.
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.cpp
file	pme.h
	This file contains function declarations necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).
file	pme_coordinate_receiver_gpu.h
	Declaration of class which receives coordinates to GPU memory on PME task.
file	pme_coordinate_receiver_gpu_impl.cpp
file	pme_coordinate_receiver_gpu_impl.h
file	pme_force_sender_gpu.h
	Declaration of class which sends PME Force from GPU memory to PP task.
file	pme_force_sender_gpu_impl.cpp
file	pme_force_sender_gpu_impl.h
file	pme_gather.cpp
file	pme_gather.h
file	pme_gather_sycl.cpp
file	pme_gather_sycl.h
file	pme_gpu.cpp
file	pme_gpu_calculate_splines.h
file	pme_gpu_calculate_splines_sycl.h
file	pme_gpu_constants.h
file	pme_gpu_grid.h
file	pme_gpu_internal.cpp
file	pme_gpu_internal.h
file	pme_gpu_ocl_stubs.cpp
file	pme_gpu_program.cpp
file	pme_gpu_program.h
	Declares PmeGpuProgram to store data derived from the GPU context or devices for PME, such as (compiled) kernel handles and the warp sizes they work with.
file	pme_gpu_program_impl.cpp
file	pme_gpu_program_impl.h
file	pme_gpu_program_impl_ocl.cpp
file	pme_gpu_program_impl_sycl.cpp
file	pme_gpu_settings.h
	Defines the PME GPU settings data structures.
file	pme_gpu_staging.h
	Defines the host-side PME GPU data structures.
file	pme_gpu_sycl_stubs.cpp
file	pme_gpu_timings.cpp
file	pme_gpu_timings.h
file	pme_gpu_types.h
file	pme_gpu_types_host.h
	Defines the host-side PME GPU data structures.
file	pme_gpu_types_host_impl.h
file	pme_grid.cpp
file	pme_grid.h
file	pme_internal.h
file	pme_load_balancing.cpp
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_only.h
	This file contains function declarations necessary for running on an MPI rank doing only PME long-ranged work.
file	pme_output.h
	Defines a struct useful for transferring the PME output values.
file	pme_pp.cpp
file	pme_pp.h
file	pme_pp_comm_gpu.h
	Declaration of GPU PME-PP Communication.
file	pme_pp_comm_gpu_impl.cpp
file	pme_pp_comm_gpu_impl.h
file	pme_pp_communication.h
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_solve_sycl.cpp
file	pme_solve_sycl.h
file	pme_spline_work.cpp
file	pme_spline_work.h
file	pme_spread.cpp
file	pme_spread.h
file	pme_spread_sycl.cpp
file	pme_spread_sycl.h
file	spline_vectors.h