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file | calculate-spline-moduli.cpp |
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file | calculate-spline-moduli.h |
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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 | 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 | 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-gather.cpp |
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file | pme-gather.h |
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file | pme-gpu-3dfft-ocl.cpp |
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file | pme-gpu-3dfft.h |
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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-impl-ocl.cpp |
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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.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-timings.cpp |
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file | pme-gpu-timings.h |
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file | pme-gpu-types-host-impl.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.h |
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file | pme-gpu-utils.h |
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file | pme-gpu.cpp |
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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-communication.h |
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file | pme-pp.cpp |
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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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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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