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file | atomdata.cpp |
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file | atomdata.h |
| Functionality for per-atom data in the nbnxm module.
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file | boundingboxes.h |
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file | clusterdistancekerneltype.h |
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file | exclusionchecker.cpp |
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file | exclusionchecker.h |
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file | freeenergydispatch.cpp |
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file | freeenergydispatch.h |
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file | gpu_common.h |
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file | gpu_common_utils.h |
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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 |
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file | gpu_types_common.h |
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file | grid.cpp |
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file | grid.h |
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file | gridset.cpp |
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file | gridset.h |
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file | gridsetdata.h |
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file | kernel_common.cpp |
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file | kernel_common.h |
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file | kerneldispatch.cpp |
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file | nbnxm.cpp |
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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_gpu_buffer_ops.cpp |
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file | nbnxm_gpu_buffer_ops_internal.h |
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file | nbnxm_gpu_data_mgmt.cpp |
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file | nbnxm_gpu_data_mgmt.h |
| Declare common functions for NBNXM GPU data management.
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file | nbnxm_setup.cpp |
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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 |
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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 |
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file | pairlistparams.h |
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file | pairlistset.cpp |
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file | pairlistset.h |
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file | pairlistsets.h |
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file | pairlistwork.cpp |
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file | pairlistwork.h |
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file | pairsearch.cpp |
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file | pairsearch.h |
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file | prunekerneldispatch.cpp |
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file | simd_coulomb_functions.h |
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file | simd_diagonal_masker.h |
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file | simd_kernel.h |
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file | simd_kernel_inner.h |
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file | simd_lennardjones_functions.h |
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file | simd_load_store_functions.h |
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file | simd_prune_kernel.cpp |
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file | simd_prune_kernel.h |
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