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file | calculate_spline_moduli.cpp |
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file | calculate_spline_moduli.h |
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file | ewald.cpp |
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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.
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file | ewald_utils.cpp |
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file | ewald_utils.h |
| Declares utility functions related to Ewald.
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file | long_range_correction.cpp |
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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).
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file | pme.cpp |
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file | pme.h |
| This file contains function declarations necessary for computing energies and forces for the PME long-ranged part (Coulomb and LJ).
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file | pme_coordinate_receiver_gpu.h |
| Declaration of class which receives coordinates to GPU memory on PME task.
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file | pme_coordinate_receiver_gpu_impl.cpp |
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file | pme_coordinate_receiver_gpu_impl.h |
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file | pme_force_sender_gpu.h |
| Declaration of class which sends PME Force from GPU memory to PP task.
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file | pme_force_sender_gpu_impl.cpp |
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file | pme_force_sender_gpu_impl.h |
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file | pme_gather.cpp |
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file | pme_gather.h |
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file | pme_gpu.cpp |
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file | pme_gpu_3dfft.h |
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file | pme_gpu_3dfft_ocl.cpp |
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file | pme_gpu_constants.h |
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file | pme_gpu_internal.cpp |
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file | pme_gpu_internal.h |
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file | pme_gpu_program.cpp |
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file | pme_gpu_program.h |
| Declares PmeGpuProgram, which wrap arounds PmeGpuProgramImpl to store permanent PME GPU context-derived data, such as (compiled) kernel handles.
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file | pme_gpu_program_impl.cpp |
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file | pme_gpu_program_impl.h |
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file | pme_gpu_program_impl_ocl.cpp |
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file | pme_gpu_timings.cpp |
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file | pme_gpu_timings.h |
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file | pme_gpu_types.h |
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file | pme_gpu_types_host.h |
| Defines the host-side PME GPU data structures.
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file | pme_gpu_types_host_impl.h |
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file | pme_gpu_utils.h |
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file | pme_grid.cpp |
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file | pme_grid.h |
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file | pme_internal.h |
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file | pme_load_balancing.cpp |
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file | pme_load_balancing.h |
| This file contains function declarations necessary for managing automatic load balance of PME calculations (Coulomb and LJ).
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file | pme_only.cpp |
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file | pme_pp.cpp |
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file | pme_pp_comm_gpu.h |
| Declaration of GPU PME-PP Communication.
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file | pme_pp_comm_gpu_impl.cpp |
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file | pme_pp_comm_gpu_impl.h |
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file | pme_pp_communication.h |
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file | pme_redistribute.cpp |
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file | pme_redistribute.h |
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file | pme_simd.h |
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file | pme_simd4.h |
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file | pme_solve.cpp |
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file | pme_solve.h |
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file | pme_spline_work.cpp |
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file | pme_spline_work.h |
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file | pme_spread.cpp |
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file | pme_spread.h |
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