Here is a list of all documented file members with links to the documentation:
- c -
- c_canEmbedBuffers
: gputraits_ocl.h
- c_checkTurnDlbOffInterval
: dlb.h
- c_checkTurnDlbOnInterval
: dlb.h
- c_clSize
: nbnxn_cuda_types.h
- c_comBufferStride
: pull_internal.h
- c_cudaPruneKernelJ4Concurrency
: nbnxn_cuda_types.h
- c_cylinderBufferStride
: pull_internal.h
- c_debugTimerState
: gpuregiontimer.h
- c_gatherMaxThreadsPerBlock
: pme-gpu-constants.h
- c_gatherMaxWarpsPerBlock
: pme-gpu-constants.h
- c_gatherMinBlocksPerMP
: pme-gpu-constants.h
- c_maxSpacingScaling
: pme-load-balancing.cpp
- c_nbnxnDynamicListPruningMinLifetime
: nbnxn_tuning.cpp
- c_nbnxnGpuRollingListPruningInterval
: nbnxn_tuning.cpp
- c_nbnxnListSizeFactorCpu
: nbnxn_tuning.cpp
- c_nbnxnListSizeFactorGPU
: nbnxn_tuning.cpp
- c_nbnxnListSizeFactorIntelXeonPhi
: nbnxn_tuning.cpp
- c_nbnxnListSizeFactorMargin
: nbnxn_tuning.cpp
- c_numClPerSupercl
: nbnxn_cuda_types.h
, nbnxn_ocl.cpp
- c_oclPruneKernelJ4ConcurrencyDEFAULT
: nbnxn_ocl_types.h
- c_pmeAtomDataAlignment
: pme-gpu-constants.h
- c_pmeGpuOrder
: pme-gpu-constants.h
- c_pmeSpreadGatherAtomsPerWarp
: pme-gpu-constants.h
- c_pmeSpreadGatherMinWarpSize
: pme-gpu-constants.h
- c_pmeSpreadGatherThreadsPerAtom
: pme-gpu-constants.h
- c_probabilityCutoff
: replicaexchange.cpp
- c_pullGroupPbcMargin
: pull.h
- c_pullGroupSmallGroupThreshold
: pull.h
- c_pullMaxNumLocalAtomsSingleThreaded
: pull_internal.h
- c_skipNeutralAtoms
: pme-gpu-constants.h
- c_solveMaxThreadsPerBlock
: pme-gpu-constants.h
- c_solveMaxWarpsPerBlock
: pme-gpu-constants.h
- c_spreadMaxThreadsPerBlock
: pme-gpu-constants.h
- c_spreadMaxWarpsPerBlock
: pme-gpu-constants.h
- c_useDelayedWait
: pme-pp.cpp
- c_usePadding
: pme-gpu-constants.h
- c_virialAndEnergyCount
: pme-gpu-constants.h
- calc_bonded_reduction_mask()
: manage-threading.cpp
- calc_box_center()
: pbc.cpp
- calc_compact_unitcell_vertices()
: pbc.cpp
- calc_cumulatives()
: gmx_wham.cpp
- calc_disres_R_6()
: disre.h
- calc_ewaldcoeff_lj()
: ewald-utils.h
- calc_ewaldcoeff_q()
: ewald-utils.h
- calc_initial_lb_coeffs()
: pme.cpp
- calc_listed()
: listed-forces.cpp
, listed-forces.h
- calc_listed_lambda()
: listed-forces.cpp
, listed-forces.h
- calc_lll()
: ewald.cpp
- calc_next_lb_coeffs()
: pme.cpp
- calc_orires_dev()
: orires.h
- calc_pos_av_stddev()
: box.cpp
- calc_profile()
: gmx_wham.cpp
- calc_shifts()
: pbc.cpp
- calc_shmem_required_nonbonded()
: nbnxn_ocl.cpp
- calc_shmem_required_prune()
: nbnxn_ocl.cpp
- calc_triclinic_images()
: pbc.cpp
- calc_z()
: gmx_wham.cpp
- calcBondedForces()
: listed-forces.cpp
- calcIntegratedAutocorrelationTimes()
: gmx_wham.cpp
- calcQuasiHarmonicEntropy()
: thermochemistry.h
- calcRotationalEntropy()
: thermochemistry.h
- calcSchlitterEntropy()
: thermochemistry.h
- calcTranslationalEntropy()
: thermochemistry.h
- calcVibrationalHeatCapacity()
: thermochemistry.h
- calcVibrationalInternalEnergy()
: thermochemistry.h
- calcZeroPointEnergy()
: thermochemistry.h
- can_use_base()
: poscalc.cpp
- canDetectGpus()
: gpu_utils.h
, gpu_utils_ocl.cpp
- canSkipWork()
: nbnxn_gpu_common_utils.h
- cartesian
: domdec.h
- CFRAC_NONE
: selectionenums.h
- CFRAC_SOLIDANGLE
: selectionenums.h
- change_dd_cutoff()
: domdec.h
- ChannelString
: swapcoords.cpp
- check_alloc_index()
: domdec_topology.cpp
- check_and_update_hw_opt_1()
: resourcedivision.cpp
, resourcedivision.h
- check_and_update_hw_opt_2()
: resourcedivision.cpp
, resourcedivision.h
- check_assign_interactions_atom()
: domdec_topology.cpp
- check_atomtype()
: sm_simple.cpp
- check_bLocalCG()
: partition.cpp
- check_box()
: pbc.cpp
- check_callbacks()
: selmethod.cpp
- check_charge()
: sm_simple.cpp
- check_exclusions_alloc()
: domdec_topology.cpp
- check_grid_jump()
: partition.cpp
, partition.h
- check_index_consistency()
: partition.cpp
- check_link()
: domdec_topology.cpp
- check_method()
: selmethod.cpp
- check_modifier()
: selmethod.cpp
- check_molecules()
: sm_simple.cpp
- check_params()
: selmethod.cpp
- check_pdbinfo()
: sm_simple.cpp
- check_resource_division_efficiency()
: resourcedivision.cpp
, resourcedivision.h
- check_screw_box()
: utility.cpp
, utility.h
- CHECK_SEL
: parser_internal.h
- check_swap_groups()
: swapcoords.cpp
- checkAndUpdateRequestedNumOpenmpThreads()
: resourcedivision.cpp
, resourcedivision.h
- checkNumberOfBondedInteractions()
: partition.cpp
, partition.h
- checkReactionCoordinateCovered()
: gmx_wham.cpp
- checkRequiredWarpSize()
: pme-gpu-program-impl-ocl.cpp
- cl_atomdata_t
: nbnxn_ocl_types.h
- cl_nb_staging_t
: nbnxn_ocl_types.h
- cl_nbparam_params_t
: nbnxn_ocl_types.h
- cl_nbparam_t
: nbnxn_ocl_types.h
- cl_plist_t
: nbnxn_ocl_types.h
- cl_timers_t
: nbnxn_ocl_types.h
- CL_USE_DEPRECATED_OPENCL_1_1_APIS
: gmxopencl.h
- CLANG_DIAGNOSTIC_IGNORE
: basedefinitions.h
- clear_dd_cycle_counts()
: dlbtiming.h
- clear_f()
: nbnxn_kernel_common.h
- clear_fshift()
: nbnxn_kernel_common.h
- clear_idef()
: domdec_topology.cpp
- clear_pull_forces()
: pull.h
- clear_surface_points()
: sm_insolidangle.cpp
- clearCommSetupData()
: partition.cpp
- clearDDStateIndices()
: partition.cpp
- clearDeviceBufferAsync()
: devicebuffer_ocl.h
- cmap_coeff_matrix
: bonded.cpp
- cmap_dihs()
: bonded.cpp
, bonded.h
- cmap_setup_grid_index()
: bonded.cpp
- CMP_ALLOCINT
: sm_compare.cpp
- CMP_ALLOCREAL
: sm_compare.cpp
- cmp_bool()
: compare.h
- cmp_double()
: compare.h
- CMP_DYNAMICVAL
: sm_compare.cpp
- CMP_EQUAL
: sm_compare.cpp
- cmp_float()
: compare.h
- CMP_GEQ
: sm_compare.cpp
- CMP_GTR
: sm_compare.cpp
- cmp_int()
: compare.h
, sm_same.cpp
- cmp_int64()
: compare.h
- CMP_INVALID
: sm_compare.cpp
- CMP_LEQ
: sm_compare.cpp
- CMP_LESS
: sm_compare.cpp
- CMP_NEQ
: sm_compare.cpp
- cmp_range()
: params.cpp
- cmp_real()
: compare.h
- CMP_REALVAL
: sm_compare.cpp
- CMP_SINGLEVAL
: sm_compare.cpp
- cmp_str()
: compare.h
, sm_same.cpp
- cmp_uc()
: compare.h
- cmp_us()
: compare.h
- combine_blocka()
: domdec_topology.cpp
- combine_idef()
: domdec_topology.cpp
- comm_box_frac()
: domdec_setup.cpp
, domdec.h
- comm_cost_est()
: domdec_setup.cpp
- comm_dd_ns_cell_sizes()
: partition.cpp
- comm_pme_cost_vol()
: domdec_setup.cpp
- CommandEvent
: gputraits_ocl.h
- CommandStream
: gputraits_ocl.h
- communicate_group_positions()
: groupcoord.h
- comp_cgsort()
: partition.cpp
- comp_state()
: state.h
- compact_unitcell_edges()
: pbc.cpp
- compareCgsort()
: partition.cpp
- comparison_type()
: sm_compare.cpp
- comparison_type_str()
: sm_compare.cpp
- compartment_contains_atom()
: swapcoords.cpp
- complexConjugatMult()
: crosscorr.cpp
- CompStr
: swapcoords.cpp
- compute_factors_cbtdihs()
: restcbt.h
, restcbt.cpp
- compute_factors_restangles()
: restcbt.h
, restcbt.cpp
- compute_factors_restrdihs()
: restcbt.cpp
, restcbt.h
- computeAverageForce()
: gmx_wham.cpp
- Context
: gputraits_ocl.h
- CONTINUE
: cstringutil.h
- continue_pme_loadbal()
: pme-load-balancing.cpp
- continuing()
: cstringutil.h
- convert_const_values()
: params.cpp
- convert_int_real()
: sm_compare.cpp
- convert_real_int()
: sm_compare.cpp
- convert_value()
: params.cpp
- convert_values()
: params.cpp
- convertOldToNewGroupFormat()
: swapcoords.cpp
- copy_pullgrp_to_synthwindow()
: gmx_wham.cpp
- copyFromDeviceBuffer()
: devicebuffer_ocl.h
- copyIndicesToGroup()
: swapcoords.cpp
- copyToDeviceBuffer()
: devicebuffer_ocl.h
- correct_box()
: pbc.cpp
- correct_box_elem()
: pbc.cpp
- count_excls()
: domdec_topology.cpp
- countPruneKernelTime()
: nbnxn_gpu_common.h
- CPU
: pme.h
- create_simple_base()
: poscalc.cpp
- create_subexpression_name()
: compiler.cpp
- create_synthetic_histo()
: gmx_wham.cpp
- cross_corr()
: crosscorr.cpp
, crosscorr.h
- cross_corr_low()
: crosscorr.cpp
- cu_plist_t
: nbnxn_cuda_types.h
- cu_timers_t
: nbnxn_cuda_types.h