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file | atomdata.cpp |
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file | atomdata.h |
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file | boundingboxes.h |
| Declares constants and helper functions used when handling bounding boxes for clusters of particles.
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file | clusterdistancekerneltype.h |
| Declares the ClusterDistanceKernelType enum.
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file | constants.h |
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file | gpu_common.h |
| Common functions for the different NBNXN GPU implementations.
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file | gpu_common_utils.h |
| Implements common util routines for different NBNXN GPU implementations.
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file | gpu_data_mgmt.h |
| Declare interface for GPU data transfer for NBNXN module.
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file | gpu_jit_support.h |
| Declares functions that support JIT compilation (e.g. for OpenCL)
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file | gpu_types.h |
| Sets gmx_nbnxn_gpu_t to the correct type depending on the build.
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file | gpu_types_common.h |
| Implements common internal types for different NBNXN GPU implementations.
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file | grid.cpp |
| Implements the Grid class.
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file | grid.h |
| Declares the Grid class.
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file | gridset.cpp |
| Implements the GridSet class.
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file | gridset.h |
| Declares the GridSet class.
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file | gridsetdata.h |
| Declares the GridSetData struct which holds grid data that is shared over all grids.
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file | kernel_common.cpp |
| Implements utility functions used by all nbnxm CPU kernels.
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file | kernel_common.h |
| Declares the nbnxm pair interaction kernel function types and kind counts, also declares utility functions used in nbnxm_kernel.cpp.
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file | kerneldispatch.cpp |
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file | nbnxm.cpp |
| Implements the Nbnxm class.
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file | nbnxm.h |
| This file contains the public interface of the nbnxm module that implements the NxM atom cluster non-bonded algorithm to efficiently compute pair forces.
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file | nbnxm_geometry.cpp |
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file | nbnxm_geometry.h |
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file | nbnxm_gpu.h |
| Declare interface for GPU execution for NBNXN module.
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file | nbnxm_setup.cpp |
| Common functions for the different NBNXN GPU implementations.
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file | nbnxm_simd.h |
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file | pairlist.cpp |
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file | pairlist.h |
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file | pairlist_simd_2xmm.h |
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file | pairlist_simd_4xm.h |
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file | pairlist_tuning.cpp |
| Implements functions for tuning adjustable parameters for the nbnxn non-bonded search and interaction kernels.
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file | pairlist_tuning.h |
| Declares functions for tuning adjustable parameters for the nbnxn non-bonded search and interaction kernels.
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file | pairlistparams.cpp |
| Implements the PairlistParams constructor.
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file | pairlistparams.h |
| Declares the PairlistType enum and PairlistParams class.
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file | pairlistset.cpp |
| Implements functionality for PairlistSet.
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file | pairlistset.h |
| Declares the PairlistSet class.
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file | pairlistsets.h |
| Declares the PairlistSets class.
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file | pairlistwork.h |
| Declares working data structures for the CPU and GPU pairlists.
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file | pairsearch.cpp |
| Implements the PairSearch class.
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file | pairsearch.h |
| Declares the PairSearch class and helper structs.
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file | prunekerneldispatch.cpp |
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