Here is a list of all documented file members with links to the documentation:

- p -

• PaddedHostVector : state.h
• parallel_3dfft_destroy() : pme.cpp , pme_internal.h
• parallel_3dfft_execute_gpu_wrapper() : pme_gpu.cpp
• parse_common_args() : pargs.h
• parse_values_bool() : params.cpp
• parse_values_enum() : params.cpp
• parse_values_range() : params.cpp
• parse_values_std() : params.cpp
• parse_values_varnum() : params.cpp
• parse_values_varnum_expr() : params.cpp
• pbc_dx() : pbc.cpp
• pbc_dx_aiuc() : pbc.cpp
• pbc_dx_d() : pbc.cpp
• pbcDxAiuc() : pbc_aiuc_hip.h , pbc_aiuc.h
• pbcDxAiucGpu() : pbc_aiuc_hip.h , pbc_aiuc_sycl.h
• PbcType : md_enums.h
• PCA_CAN_BEGIN : pargs.h
• PCA_CAN_DT : pargs.h
• PCA_CAN_END : pargs.h
• PCA_CAN_SET_DEFFNM : pargs.h
• PCA_CAN_TIME : pargs.h
• PCA_CAN_VIEW : pargs.h
• PCA_DISABLE_INPUT_FILE_CHECKING : pargs.h
• PCA_NOEXIT_ON_ARGS : pargs.h
• PCA_TIME_UNIT : pargs.h
• peerAccessCheckStat() : gpu_utils_hip.cpp
• pfree() : pmalloc_hip.cpp , pmalloc_sycl.cpp , pmalloc.cpp
• place_child() : params.cpp
• please_cite() : pleasecite.h
• pleaseCiteGromacs() : pleasecite.h
• pmalloc() : pmalloc.cpp , pmalloc_hip.cpp , pmalloc_sycl.cpp
• pme_calc_pidx() : pme_redistribute.cpp
• pme_calc_pidx_wrapper() : pme_redistribute.cpp
• pme_dd_sendrecv() : pme_redistribute.cpp
• pme_get_pinning_policy() : pme.cpp , pme.h
• pme_gpu_3dfft() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_active() : pme_gpu.cpp
• pme_gpu_alloc_energy_virial() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_check_atom_charge() : pme_gpu_calculate_splines_hip.h
• pme_gpu_check_restrictions() : pme.cpp
• pme_gpu_clear_energy_virial() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_clear_grids() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_copy_common_data_from() : pme_gpu_internal.cpp
• pme_gpu_copy_input_forces() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_copy_input_gather_atom_data() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_copy_input_gather_grid() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_copy_output_forces() : pme_gpu_internal.h , pme_gpu_internal.cpp
• pme_gpu_copy_output_spread_atom_data() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_copy_output_spread_grid() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_destroy() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_destroy_3dfft() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_fetch_timing_event() : pme_gpu_internal.cpp
• pme_gpu_finish_step() : pme.h , pme_gpu.cpp
• pme_gpu_free_bspline_values() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_coefficients() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_energy_virial() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_forces() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_fract_shifts() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_grid_indices() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_grids() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_haloexchange() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_free_spline_data() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_gather() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_atom_data_block_size() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_atoms_per_warp() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_block_size() : pme.h , pme_gpu.cpp
• pme_gpu_get_device_f() : pme.h , pme_gpu.cpp
• pme_gpu_get_f_ready_synchronizer() : pme.h , pme_gpu.cpp
• pme_gpu_get_forces_ready_synchronizer() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_kernel_params_ptr() : pme_gpu_internal.cpp
• pme_gpu_get_kernelparam_forces() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_real_grid_sizes() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_get_timings() : pme.h , pme_gpu.cpp , pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_getEnergyAndVirial() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_getForceOutput() : pme_gpu_internal.cpp
• pme_gpu_getOutput() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_init() : pme_gpu_internal.cpp
• pme_gpu_init_internal() : pme_gpu_internal.cpp
• pme_gpu_launch_complex_transforms() : pme.h , pme_gpu.cpp
• pme_gpu_launch_gather() : pme.h
• pme_gpu_launch_spread() : pme_gpu.cpp , pme.h
• pme_gpu_mixed_mode_supports_input() : pme.cpp , pme.h
• pme_gpu_prepare_computation() : pme.h , pme_gpu.cpp
• pme_gpu_realloc_and_copy_bspline_values() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_and_copy_fract_shifts() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_and_copy_input_coefficients() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_forces() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_grid_indices() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_grids() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_realloc_spline_data() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_reduce_outputs() : pme_gpu.cpp
• pme_gpu_reinit() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_reinit_3dfft() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_reinit_atoms() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_reinit_grids() : pme_gpu_internal.cpp
• pme_gpu_reinit_haloexchange() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_reinit_timings() : pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_reset_timings() : pme.h , pme_gpu.cpp , pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_select_best_performing_pme_spreadgather_kernels() : pme_gpu_internal.cpp
• pme_gpu_set_device_x() : pme.h , pme_gpu.cpp
• pme_gpu_set_kernelparam_coordinates() : pme_gpu_internal.h , pme_gpu_internal.cpp
• pme_gpu_set_testing() : pme_gpu_internal.h
• pme_gpu_settings() : pme_gpu_internal.h
• pme_gpu_solve() : pme_gpu_internal.h , pme_gpu_internal.cpp
• pme_gpu_spread() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_stage_atom_data() : pme_gpu_calculate_splines_hip.h
• pme_gpu_staging() : pme_gpu_internal.h
• pme_gpu_start_timing() : pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_stop_timing() : pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_stream_query() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_supports_build() : pme.h , pme.cpp
• pme_gpu_supports_input() : pme.cpp , pme.h
• pme_gpu_sync_spread_grid() : pme_gpu_internal.h , pme_gpu_internal.cpp
• pme_gpu_synchronize() : pme_gpu_internal.cpp , pme_gpu_internal.h
• pme_gpu_task_enabled() : pme.h
• pme_gpu_timings_enabled() : pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_try_finish_task() : pme.h , pme_gpu.cpp
• pme_gpu_update_input_box() : pme_gpu_internal.h
• pme_gpu_update_timings() : pme_gpu_timings.cpp , pme_gpu_timings.h
• pme_gpu_use_nvshmem() : pme.h , pme_gpu.cpp
• pme_gpu_wait_and_reduce() : pme.h , pme_gpu.cpp
• pme_gpu_wait_finish_task() : pme_gpu.cpp , pme_gpu_internal.h
• PME_ORDER_MAX : pme_internal.h
• pme_realloc_splinedata() : pme_redistribute.cpp
• pme_run_mode() : pme.cpp , pme.h
• pmeGatherKernel() : pme_gather_sycl.cpp
• pmeGpuCheckAtomCharge() : pme_gpu_calculate_splines_sycl.h
• pmeGpuCreateGrid() : pme_gpu_internal.cpp
• pmeGpuGridHaloExchange() : pme_gpu_grid.h , pme_gpu_grid_hip.cpp , pme_gpu_grid_sycl.cpp , pme_gpu_ocl_stubs.cpp
• pmeGpuGridHaloExchangeReverse() : pme_gpu_grid_hip.cpp , pme_gpu_grid_sycl.cpp , pme_gpu_ocl_stubs.cpp , pme_gpu_grid.h
• PmeGpuKernelParams : pme_gpu_types_host.h
• PmeGpuProgramStorage : pme_gpu_program.h
• PmeGpuSpecific : pme_gpu_types_host.h
• pmeGpuStageAtomData() : pme_gpu_calculate_splines_sycl.h
• PmeRunMode : pme.h
• pmeSplineAndSpreadKernel() : pme_gpu_program_impl_hip.cpp , pme_spread_sycl.cpp
• PmeSplineDataType : pme_gpu_internal.h
• PmeStage : gpu_timing.h
• PoclCpu : device_information.h
• POS_ALL : poscalc.h
• POS_ALL_PBC : poscalc.h
• POS_ATOM : poscalc.h
• POS_COMPLMAX : poscalc.h
• POS_COMPLWHOLE : poscalc.h
• POS_DYNAMIC : poscalc.h
• POS_FORCES : poscalc.h
• POS_MASKONLY : poscalc.h
• POS_MASS : poscalc.h
• POS_MOL : poscalc.h
• POS_RES : poscalc.h
• POS_VALUE : selvalue.h
• POS_VELOCITIES : poscalc.h
• positionsFromStatePointer() : state.h
• posres_wrapper() : position_restraints.cpp , position_restraints.h
• posres_wrapper_lambda() : position_restraints.h , position_restraints.cpp
• postprocess_item_subexpressions() : compiler.cpp
• PP_PME_CHARGE : pme_pp_communication.h
• pr_beta() : minimize.cpp
• pr_double() : txtdump.h
• pr_doubles() : txtdump.h
• pr_indent() : txtdump.h
• pr_int() : txtdump.h
• pr_int64() : txtdump.h
• pr_real() : txtdump.h
• pr_reals() : txtdump.h
• pr_reals_of_dim() : txtdump.h
• pr_str() : txtdump.h
• pr_strings() : txtdump.h
• pr_symtab() : symtab.cpp , symtab.h
• pr_title() : txtdump.h
• pr_title_n() : txtdump.h
• pr_title_nxn() : txtdump.h
• prepare_verlet_scheme() : runner.cpp
• prepareGpuKernelArgument() : oclutils.h
• prepareGpuKernelArguments() : oclutils.h
• preparePrevStepPullCom() : pull.h
• preparePrevStepPullComNewSimulation() : pull.h
• prepareRerunState() : rerun.cpp
• preserveBoxShape() : state.h
• PressureCoupling : md_enums.h
• PressureCouplingType : md_enums.h
• prevStepPullCom() : pull.h
• print_and_integrate() : integrate.h
• print_chi2_params() : expfit.cpp
• print_converged() : minimize.cpp
• print_date_and_time() : printtime.h
• print_dd_load_av() : partition.cpp
• print_ddzone() : partition.cpp
• print_em_start() : minimize.cpp
• print_group_info() : compiler.cpp
• print_histograms() : gmx_wham.cpp
• print_hw_opt() : resourcedivision.cpp
• print_ionlist() : swapcoords.cpp
• print_ionlist_legend() : swapcoords.cpp
• print_lambda_vector() : energyoutput.cpp
• print_orires_log() : orires.h
• print_replica_exchange_statistics() : replicaexchange.h
• print_resall() : resall.h
• print_start() : printtime.h
• print_time() : printtime.h
• printLambdaStateToLog() : state.h
• PrintTo() : confio.cpp , constr.cpp
• process_const() : compiler.cpp
• prof_normalization_and_unit() : gmx_wham.cpp
• pull_apply_forces() : pull.h
• pull_calc_coms() : pull.h
• pull_constraint() : pull.h
• pull_conversion_factor_internal2userinput() : pull.h
• pull_conversion_factor_userinput2internal() : pull.h
• pull_coordinate_units() : pull.h
• pull_have_constraint() : pull.h
• pull_have_potential() : pull.h
• pull_potential() : pull.h
• pull_print_output() : output.h
• pullCheckPbcWithinGroup() : pull.h
• pullCheckPbcWithinGroups() : pull.h
• PullGroupGeometry : md_enums.h
• PullingAlgorithm : md_enums.h
• put_atoms_in_box() : pbc.cpp
• put_atoms_in_box_omp() : pbc.cpp
• put_atoms_in_compact_unitcell() : pbc.cpp
• put_atoms_in_triclinic_unitcell() : pbc.cpp
• put_symtab() : symtab.h , symtab.cpp
• putUpdateGroupAtomsInSamePeriodicImage() : domdec.h
• PVC_XL_A0 : device_management_sycl_intel_device_ids.cpp
• PVC_XL_A0P : device_management_sycl_intel_device_ids.cpp