Gromacs
2025-dev-20240614-602a366
Main Page
Modules
Other Docs
Namespaces
Classes
Files
Examples
File List
File Members
All
Functions
Variables
Typedefs
Enumerations
Enumerator
Macros
_
a
b
c
d
e
f
g
h
i
l
m
n
o
p
r
s
t
u
v
w
z
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Friends
Macros
Groups
Pages
- p -
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.h
pbcDxAiucSycl() :
pbc_aiuc_sycl.h
peerAccessCheckStat() :
gpu_utils_hip.cpp
pfree() :
pmalloc.cpp
,
pmalloc_hip.cpp
,
pmalloc_sycl.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_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.cpp
,
pme_gpu_internal.h
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_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_base_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.h
,
pme_gpu.cpp
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.h
,
pme_gpu_internal.cpp
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_computation() :
pme.h
,
pme_gpu.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.cpp
,
pme_gpu_internal.h
pme_gpu_set_testing() :
pme_gpu_internal.h
pme_gpu_settings() :
pme_gpu_internal.h
pme_gpu_solve() :
pme_gpu_internal.cpp
,
pme_gpu_internal.h
pme_gpu_spread() :
pme_gpu_internal.cpp
,
pme_gpu_internal.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.cpp
,
pme.h
pme_gpu_supports_input() :
pme.cpp
,
pme.h
pme_gpu_sync_spread_grid() :
pme_gpu_internal.cpp
,
pme_gpu_internal.h
pme_gpu_synchronize() :
pme_gpu_internal.cpp
,
pme_gpu_internal.h
pme_gpu_task_enabled() :
pme.h
pme_gpu_timings_enabled() :
pme_gpu_timings.h
,
pme_gpu_timings.cpp
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_grid_points() :
pme_load_balancing.cpp
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.h
,
pme_load_balancing.cpp
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_sycl.cpp
,
pme_gpu_grid.h
,
pme_gpu_ocl_stubs.cpp
pmeGpuGridHaloExchangeReverse() :
pme_gpu_ocl_stubs.cpp
,
pme_gpu_grid_sycl.cpp
,
pme_gpu_grid.h
pmeGpuStageAtomData() :
pme_gpu_calculate_splines_sycl.h
pmeSplineAndSpreadKernel() :
pme_spread_sycl.cpp
positionsFromStatePointer() :
state.h
posres_wrapper() :
position_restraints.cpp
,
position_restraints.h
posres_wrapper_lambda() :
position_restraints.cpp
,
position_restraints.h
postprocess_item_subexpressions() :
compiler.cpp
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
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_grid() :
pme_load_balancing.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_loadbal_limited() :
pme_load_balancing.cpp
print_orires_log() :
orires.h
print_pme_loadbal_setting() :
pme_load_balancing.cpp
print_pme_loadbal_settings() :
pme_load_balancing.cpp
print_replica_exchange_statistics() :
replicaexchange.h
print_resall() :
resall.h
print_start() :
printtime.h
print_time() :
printtime.h
printLambdaStateToLog() :
state.h
printNbnxmPressureError() :
pairlist_tuning.h
,
pairlist_tuning.cpp
PrintTo() :
constr.cpp
,
confio.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
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.cpp
,
symtab.h
putUpdateGroupAtomsInSamePeriodicImage() :
domdec.h
Generated on Sat Jun 15 2024 23:16:51 for Gromacs by
1.8.5