Here is a list of all documented file members with links to the documentation:
- p -
- p_nbk_func_ener
: nbnxn_kernel_common.h
- p_nbk_func_noener
: nbnxn_kernel_common.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_correct_dx_simd()
: pbc-simd.h
- pbc_dx()
: pbc.cpp
- pbc_dx_aiuc()
: pbc-simd.h
, pbc.cpp
- pbc_dx_d()
: pbc.cpp
- pbc_rvec_sub()
: bonded.cpp
- 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_NOT_READ_NODE
: pargs.h
- PCA_TIME_UNIT
: pargs.h
- pdo_close_file()
: gmx_wham.cpp
- pfree()
: pmalloc_cuda.h
- place_child()
: params.cpp
- please_cite()
: pleasecite.h
- pmalloc()
: pmalloc_cuda.h
- pmalloc_wc()
: pmalloc_cuda.h
- pme_gpu_3dfft()
: pme-gpu-internal.h
- pme_gpu_active()
: pme-internal.h
- pme_gpu_alloc_energy_virial()
: pme-gpu-internal.h
- pme_gpu_check_restrictions()
: pme-gpu-internal.cpp
- pme_gpu_clear_energy_virial()
: pme-gpu-internal.h
- pme_gpu_clear_grids()
: pme-gpu-internal.h
- pme_gpu_copy_common_data_from()
: pme-gpu-internal.cpp
- pme_gpu_copy_input_coordinates()
: pme-gpu-internal.h
- pme_gpu_copy_input_forces()
: pme-gpu-internal.h
- pme_gpu_copy_input_gather_atom_data()
: pme-gpu-internal.h
- pme_gpu_copy_input_gather_grid()
: pme-gpu-internal.h
- pme_gpu_copy_output_forces()
: pme-gpu-internal.h
- pme_gpu_copy_output_spread_atom_data()
: pme-gpu-internal.h
- pme_gpu_copy_output_spread_grid()
: pme-gpu-internal.h
- pme_gpu_destroy()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_destroy_3dfft()
: pme-gpu-internal.h
- pme_gpu_destroy_specific()
: pme-gpu-internal.h
- pme_gpu_destroy_sync_events()
: pme-gpu-internal.h
- pme_gpu_finish_computation()
: pme-gpu-internal.h
- pme_gpu_free_bspline_values()
: pme-gpu-internal.h
- pme_gpu_free_coefficients()
: pme-gpu-internal.h
- pme_gpu_free_coordinates()
: pme-gpu-internal.h
- pme_gpu_free_energy_virial()
: pme-gpu-internal.h
- pme_gpu_free_forces()
: pme-gpu-internal.h
- pme_gpu_free_fract_shifts()
: pme-gpu-internal.h
- pme_gpu_free_grid_indices()
: pme-gpu-internal.h
- pme_gpu_free_grids()
: pme-gpu-internal.h
- pme_gpu_free_spline_data()
: pme-gpu-internal.h
- pme_gpu_gather()
: pme-gpu-internal.h
- pme_gpu_get_atom_data_alignment()
: pme-gpu-internal.h
- pme_gpu_get_atoms_per_warp()
: pme-gpu-internal.h
- pme_gpu_get_energy_virial()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_get_forces()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_get_kernel_params_base_ptr()
: pme-gpu-internal.cpp
- pme_gpu_get_real_grid_sizes()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_get_staged_results()
: pme-gpu.cpp
- pme_gpu_get_timings()
: pme-gpu-internal.h
, pme-gpu.cpp
, pme.h
- pme_gpu_init()
: pme-gpu-internal.cpp
- pme_gpu_init_internal()
: pme-gpu-internal.h
- pme_gpu_init_sync_events()
: pme-gpu-internal.h
- pme_gpu_is_testing()
: pme-gpu-internal.h
- pme_gpu_launch_complex_transforms()
: pme-gpu.cpp
, pme.h
- pme_gpu_launch_gather()
: pme-gpu.cpp
, pme.h
- pme_gpu_launch_spread()
: pme-gpu.cpp
, pme.h
- pme_gpu_performs_FFT()
: pme-gpu-internal.h
- pme_gpu_performs_gather()
: pme-gpu-internal.h
- pme_gpu_performs_solve()
: pme-gpu-internal.h
- pme_gpu_performs_wrapping()
: pme-gpu-internal.h
- pme_gpu_prepare_computation()
: pme-gpu.cpp
, pme.h
- pme_gpu_realloc_and_copy_bspline_values()
: pme-gpu-internal.h
- pme_gpu_realloc_and_copy_fract_shifts()
: pme-gpu-internal.h
- pme_gpu_realloc_and_copy_input_coefficients()
: pme-gpu-internal.h
- pme_gpu_realloc_coordinates()
: pme-gpu-internal.h
- pme_gpu_realloc_forces()
: pme-gpu-internal.h
- pme_gpu_realloc_grid_indices()
: pme-gpu-internal.h
- pme_gpu_realloc_grids()
: pme-gpu-internal.h
- pme_gpu_realloc_spline_data()
: pme-gpu-internal.h
- pme_gpu_reinit()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_reinit_3dfft()
: pme-gpu-internal.h
- pme_gpu_reinit_atoms()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_reinit_computation()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_reinit_grids()
: pme-gpu-internal.cpp
- pme_gpu_reinit_timings()
: pme-gpu-internal.h
- pme_gpu_reset_timings()
: pme-gpu-internal.h
, pme-gpu.cpp
, pme.h
- pme_gpu_set_testing()
: pme-gpu-internal.h
- pme_gpu_solve()
: pme-gpu-internal.h
- pme_gpu_spread()
: pme-gpu-internal.h
- pme_gpu_stream_query()
: pme-gpu-internal.h
- pme_gpu_supports_input()
: pme-gpu.cpp
, pme.h
- pme_gpu_sync_spread_grid()
: pme-gpu-internal.h
- pme_gpu_synchronize()
: pme-gpu-internal.h
- pme_gpu_task_enabled()
: pme.h
- pme_gpu_transform_spline_atom_data()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_try_finish_task()
: pme-gpu.cpp
, pme.h
- pme_gpu_update_input_box()
: pme-gpu-internal.cpp
, pme-gpu-internal.h
- pme_gpu_update_timings()
: pme-gpu-internal.h
- pme_gpu_uses_dd()
: pme-gpu-internal.h
- pme_gpu_wait_finish_task()
: pme-gpu.cpp
, pme.h
- pme_grid_points()
: pme-load-balancing.cpp
- PME_GRID_QA
: pme-internal.h
- pme_load_balance()
: pme-load-balancing.cpp
- pme_loadbal_do()
: pme-load-balancing.cpp
, pme-load-balancing.h
- pme_loadbal_done()
: pme-load-balancing.cpp
, pme-load-balancing.h
- pme_loadbal_end()
: pme-load-balancing.cpp
- pme_loadbal_increase_cutoff()
: pme-load-balancing.cpp
- pme_loadbal_init()
: pme-load-balancing.cpp
, pme-load-balancing.h
- pme_loadbal_is_active()
: pme-load-balancing.cpp
, pme-load-balancing.h
- PME_ORDER_MAX
: pme-internal.h
- pme_run_mode()
: pme-gpu.cpp
, pme.h
- PmeForceOutputHandling
: pme.h
- PmeGpuKernelParams
: pme-gpu-types.h
- PmeGpuSpecific
: pme-gpu-types.h
- PmeLayoutTransform
: pme-gpu-internal.h
- pmelblim_str
: pme-load-balancing.cpp
- PmeRunMode
: pme.h
- PmeSplineDataType
: pme-gpu-internal.h
- PMETunePeriod
: pme-load-balancing.cpp
- 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
- posres_wrapper()
: position-restraints.cpp
, position-restraints.h
- posres_wrapper_lambda()
: position-restraints.cpp
, position-restraints.h
- postprocess_item_subexpressions()
: compiler.cpp
- pp_pme
: domdec.h
- 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_title()
: txtdump.h
- pr_title_n()
: txtdump.h
- pr_title_nxn()
: txtdump.h
- prepare_verlet_scheme()
: runner.cpp
- preserve_box_shape()
: state.h
- print_and_integrate()
: integrate.h
- print_chi2_params()
: expfit.cpp
- print_converged()
: minimize.cpp
- print_dd_statistics()
: domdec.h
- print_em_start()
: minimize.cpp
- print_error_header()
: domdec_topology.cpp
- print_grid()
: pme-load-balancing.cpp
- print_group_info()
: compiler.cpp
- print_histograms()
: gmx_wham.cpp
- print_hw_opt()
: resourcedivision.cpp
- print_IMD_error()
: imdsocket.cpp
- print_ionlist()
: swapcoords.cpp
- print_ionlist_legend()
: swapcoords.cpp
- print_loadbal_limited()
: pme-load-balancing.cpp
- print_missing_interactions_atoms()
: domdec_topology.cpp
- print_missing_interactions_mb()
: domdec_topology.cpp
- print_orires_log()
: orires.h
- print_pme_loadbal_setting()
: pme-load-balancing.cpp
- print_pme_loadbal_settings()
: pme-load-balancing.cpp
- PrintTo()
: confio.cpp
- process_const()
: compiler.cpp
- prof_normalization_and_unit()
: gmx_wham.cpp
- pull_calc_coms()
: pull.h
- pull_constraint()
: pull.h
- pull_conversion_factor_internal2userinput()
: pull.h
- pull_conversion_factor_userinput2internal()
: pull.h
- pull_coordinate_is_angletype()
: pull.h
- pull_coordinate_units()
: pull.h
- pull_have_constraint()
: pull.h
- pull_have_potential()
: pull.h
- pull_potential()
: pull.h
- pull_print_output()
: pull.h
- pullCheckPbcWithinGroups()
: pull.h
- put_atoms_in_box()
: pbc.cpp
- put_atoms_in_compact_unitcell()
: pbc.cpp
- put_atoms_in_triclinic_unitcell()
: pbc.cpp