- a -

• acf : autocorr.cpp

- b -

• bACFinit : autocorr.cpp
• box1000 : bench_coords.h
• bWarnedGuess : pbc.cpp

- c -

• c_binarySupportsGpus : device_information.h
• c_bondedKernelFlavorStrings : bonded.cpp , bonded.h
• c_canSerializeDeviceInformation : device_information.h
• c_checkTurnDlbOffInterval : dlb.h
• c_checkTurnDlbOnInterval : dlb.h
• c_clSize : nbnxm_cuda_types.h
• c_comBufferStride : pull_internal.h
• c_cudaFullWarpMask : sycl_kernel_utils.h
• c_cylinderBufferStride : pull_internal.h
• c_debugTimerState : gpuregiontimer.h
• c_deviceStateString : device_information.h
• c_gatherMaxWarpsPerBlock : pme_gpu_constants.h
• c_gpuNumClusterPerCell : pairlistparams.h
• c_gpuNumClusterPerCellZ : pairlistparams.h
• c_maxBufSize : symtab.cpp
• c_maxSpacingScaling : pme_load_balancing.cpp
• c_nbnxnCpuDynamicListPruningMinLifetime : pairlist_tuning.cpp
• c_nbnxnCpuIClusterSize : pairlistparams.h
• c_nbnxnGpuClusterpairSplit : pairlistparams.h
• c_nbnxnGpuClusterSize : pairlistparams.h
• c_nbnxnGpuDynamicListPruningMinLifetime : pairlist_tuning.cpp
• c_nbnxnGpuExclSize : pairlistparams.h
• c_nbnxnGpuRollingListPruningInterval : pairlist_tuning.cpp
• c_nbnxnListSizeFactorCpu : pairlist_tuning.cpp
• c_nbnxnListSizeFactorGPU : pairlist_tuning.cpp
• c_nbnxnListSizeFactorIntelXeonPhi : pairlist_tuning.cpp
• c_nbnxnListSizeFactorMargin : pairlist_tuning.cpp
• c_numFirstTuningIntervalSkip : pme_load_balancing.cpp
• c_numFirstTuningIntervalSkipWithSepPme : pme_load_balancing.cpp
• c_numPostSwitchTuningIntervalSkip : pme_load_balancing.cpp
• c_packX4 : atomdata.h
• c_packX8 : atomdata.h
• c_pbcTypeNames : pbc.cpp
• c_pmeAtomDataBlockSize : pme_gpu_internal.cpp
• c_pmeGpuOrder : pme_gpu_constants.h
• c_probabilityCutoff : replicaexchange.cpp
• c_pruneKernelJPackedConcurrency : gpu_types_common.h
• c_pullGroupPbcMargin : pull.h
• c_pullGroupSmallGroupThreshold : pull.h
• c_pullMaxNumLocalAtomsSingleThreaded : pull_internal.h
• c_sciHistogramSize : gpu_types_common.h
• c_sciSortingThreadsPerBlock : gpu_types_common.h
• c_skipNeutralAtoms : pme_gpu_constants.h
• c_solveMaxWarpsPerBlock : pme_gpu_constants.h
• c_spreadMaxWarpsPerBlock : pme_gpu_constants.h
• c_startupTimeDelay : pme_load_balancing.cpp
• c_trimSize : symtab.cpp
• c_useDelayedWait : pme_pp.cpp
• c_virialAndEnergyCount : pme_gpu_constants.h
• c_xStride2xNN : pairlist_simd_2xmm.h
• c_xStride4xN : pairlist_simd_4xm.h
• ChannelString : swapcoords.cpp
• CompStr : swapcoords.cpp
• conrmsd_nm : energyoutput.cpp
• coordinates1000 : bench_coords.h

- d -

• debug : fatalerror.h
• DimStr : swapcoords.cpp
• DomainString : swapcoords.cpp

- g -

• g_threadAllocCount : pmalloc_sycl.cpp
• g_threadDefaultContext : pmalloc_sycl.cpp
• g_threadDelayContextClearing : pmalloc_sycl.cpp
• g_useEventConsumptionCounting : gpueventsynchronizer.h
• gmx_central_base_hash : baseversion_gen.h
• gmx_debug_at : fatalerror.h
• GMX_FFT_FLAG_CONSERVATIVE : fft.h
• GMX_FFT_FLAG_NONE : fft.h
• gmx_full_git_hash : baseversion_gen.h
• gmx_string_hash_init : cstringutil.h
• gmx_ver_string : baseversion_gen.h
• gmxCacheLineSize : pme.cpp
• gmxSourceDoiString : baseversion_gen.h
• gridpointsScaleFactor : pme_load_balancing.cpp

- h -

• help_atomname : sm_simple.cpp
• help_distance : sm_distance.cpp
• help_insolidangle : sm_insolidangle.cpp
• help_merge : sm_merge.cpp
• help_permute : sm_permute.cpp
• help_resindex : sm_simple.cpp
• help_same : sm_same.cpp
• helptitle_atomname : sm_simple.cpp
• helptitle_distance : sm_distance.cpp
• helptitle_merge : sm_merge.cpp
• helptitle_resindex : sm_simple.cpp

- i -

• IClusterSizePerListType : pairlistparams.h

- j -

• JClusterSizePerListType : pairlistparams.h

- k -

• kernel_electrostatic_family_definitions : nbnxm_ocl_jit_support.cpp
• kernel_VdW_family_definitions : nbnxm_ocl_jit_support.cpp

- l -

• lb_scale_factor : pme_internal.h
• lb_scale_factor_symm : pme_internal.h
• Leg : autocorr.cpp
• lmcurves : gmx_lmcurve.h , expfit.cpp
• loadBalanceTriggerFactor : pme_load_balancing.cpp
• longs_ffn : expfit.cpp

- m -

• maxFluctuationAccepted : pme_load_balancing.cpp
• maxRelativeSlowdownAccepted : pme_load_balancing.cpp
• min_atoms_per_gpu : resourcedivision.cpp
• min_atoms_per_mpi_thread : resourcedivision.cpp

- n -

• nbnxn_kernel_ElecRF_VdwLJ_F_ref : kernel_ref.h
• nbnxnReferenceNstlist : pairlist_tuning.cpp
• nfp_ffn : expfit.cpp
• nstlist_try : pairlist_tuning.cpp
• nthreads_omp_faster_default : resourcedivision.cpp

- o -

• OVER_ALLOC_FAC : smalloc.h

- p -

• PMETunePeriod : pme_load_balancing.cpp

- r -

• relativeEfficiencyFactor : pme_load_balancing.cpp

- s -

• s_ffn : expfit.cpp , expfit.h
• sc_boxSkewnessMarginForWarning : pbc.cpp
• sc_haveNbnxmSimd2xmmKernels : nbnxm_simd.h
• sc_haveNbnxmSimd4xmKernels : nbnxm_simd.h
• sc_isGpuPairListType : pairlistparams.h
• sc_skewnessMargin : pbc.cpp
• sc_subGroupSize : pme_gpu_grid_sycl.cpp
• sm_all : sm_simple.cpp
• sm_altloc : sm_simple.cpp
• sm_atomname : sm_simple.cpp
• sm_atomnr : sm_simple.cpp
• sm_atomtype : sm_simple.cpp
• sm_betafactor : sm_simple.cpp
• sm_chain : sm_simple.cpp
• sm_charge : sm_simple.cpp
• sm_cog : sm_position.cpp
• sm_com : sm_position.cpp
• sm_compare : keywords.h , sm_compare.cpp
• sm_distance : sm_distance.cpp
• sm_insertcode : sm_simple.cpp
• sm_insolidangle : sm_insolidangle.cpp
• sm_keyword_int : keywords.h , sm_keywords.cpp
• sm_keyword_pos : keywords.h , sm_position.cpp
• sm_keyword_real : keywords.h , sm_keywords.cpp
• sm_keyword_str : keywords.h , sm_keywords.cpp
• sm_mass : sm_simple.cpp
• sm_merge : sm_merge.cpp
• sm_mindistance : sm_distance.cpp
• sm_molindex : sm_simple.cpp
• sm_none : sm_simple.cpp
• sm_occupancy : sm_simple.cpp
• sm_pdbatomname : sm_simple.cpp
• sm_permute : sm_permute.cpp
• sm_plus : sm_merge.cpp
• sm_resindex : sm_simple.cpp
• sm_resname : sm_simple.cpp
• sm_resnr : sm_simple.cpp
• sm_same : sm_same.cpp
• sm_same_str : sm_same.cpp
• sm_within : sm_distance.cpp
• sm_x : sm_simple.cpp
• sm_y : sm_simple.cpp
• sm_z : sm_simple.cpp
• smparams_com : sm_position.cpp
• smparams_compare : sm_compare.cpp
• smparams_distance : sm_distance.cpp
• smparams_insolidangle : sm_insolidangle.cpp
• smparams_keyword_int : sm_keywords.cpp
• smparams_keyword_pos : sm_position.cpp
• smparams_keyword_real : sm_keywords.cpp
• smparams_keyword_str : sm_keywords.cpp
• smparams_kweval_group : sm_keywords.cpp
• smparams_kweval_pos : sm_keywords.cpp
• smparams_merge : sm_merge.cpp
• smparams_mindistance : sm_distance.cpp
• smparams_permute : sm_permute.cpp
• smparams_same_int : sm_same.cpp
• smparams_same_str : sm_same.cpp
• smparams_within : sm_distance.cpp
• spc27Box : spc27_coords.h
• spc27Coordinates : spc27_coords.h
• STRIDE_P4 : atomdata.h
• STRIDE_P8 : atomdata.h
• STRIDE_XYZ : atomdata.h
• STRIDE_XYZQ : atomdata.h
• SwapStr : swapcoords.cpp
• SwS : swapcoords.cpp
• SwSEmpty : swapcoords.cpp