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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
 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  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
 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).
 
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
 May be used to implement PME-PP GPU comm interfaces for non-GPU builds.
 
file  pme_coordinate_receiver_gpu_impl.h
 Declaration of class which receives coordinates to GPU memory on PME task.
 
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
 May be used to implement PME-PP GPU comm interfaces for non-GPU builds.
 
file  pme_force_sender_gpu_impl.h
 Declaration of class which sends PME Force from GPU memory to PP task.
 
file  pme_gather.cpp
 
file  pme_gather.h
 
file  pme_gpu.cpp
 Implements high-level PME GPU functions which do not require GPU framework-specific code.
 
file  pme_gpu_3dfft.h
 Declares the 3D FFT class for PME.
 
file  pme_gpu_3dfft_ocl.cpp
 Implements OpenCL 3D FFT routines for PME GPU.
 
file  pme_gpu_constants.h
 This file defines the PME GPU compile-time constants/macros, used both in device and host code.
 
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_program.cpp
 Implements PmeGpuProgram, which wrap arounds PmeGpuProgramImpl to store permanent PME GPU context-derived data, such as (compiled) kernel handles.
 
file  pme_gpu_program.h
 Declares PmeGpuProgram, which wrap arounds PmeGpuProgramImpl to store permanent PME GPU context-derived data, such as (compiled) kernel handles.
 
file  pme_gpu_program_impl.cpp
 Implements PmeGpuProgramImpl for non-GPU builds.
 
file  pme_gpu_program_impl.h
 Declares PmeGpuProgramImpl, which stores PME GPU (compiled) kernel handles.
 
file  pme_gpu_program_impl_ocl.cpp
 Implements PmeGpuProgramImpl, which stores permanent PME GPU context-derived data, such as (compiled) kernel handles.
 
file  pme_gpu_timings.cpp
 Implements PME GPU timing events wrappers.
 
file  pme_gpu_timings.h
 Defines PME GPU timing functions.
 
file  pme_gpu_types.h
 Defines the PME GPU data structures (the GPU function parameters used both on host and device sides).
 
file  pme_gpu_types_host.h
 Defines the host-side PME GPU data structures.
 
file  pme_gpu_types_host_impl.h
 Defines the host-side PME GPU data structure, which is dependent on the GPU types. It's included by pointer in the general PmeGpu host structure in pme_gpu_types_host.h.
 
file  pme_gpu_utils.h
 This file defines small PME GPU inline host/device functions. Note that OpenCL device-side functions can't use C++ features, so they are located in a similar file pme_gpu_utils.clh. Be sure to keep the logic in sync in both files when changing it!
 
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.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_pp_comm_gpu.h
 Declaration of GPU PME-PP Communication.
 
file  pme_pp_comm_gpu_impl.cpp
 May be used to implement PME-PP GPU comm interfaces for non-GPU builds.
 
file  pme_pp_comm_gpu_impl.h
 Declares CUDA implementation class for PME-PP communications.
 
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_redistribute.cpp
 This file contains function definitions for redistributing atoms over the PME domains.
 
file  pme_redistribute.h
 Declares functions for redistributing atoms over the PME domains.
 
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