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- g -
gatherIntFromMultiSimulation() :
multisim.cpp
,
multisim.h
genBondedLinks() :
makebondedlinks.cpp
generateEwaldCorrectionTables() :
forcetable.h
genQmmmIndices() :
utilities.h
get() :
parser_internal.h
get_2log() :
nbnxm_geometry.h
get_a_line() :
strdb.h
get_acffitfn() :
autocorr.cpp
,
autocorr.h
get_acfnout() :
autocorr.cpp
,
autocorr.h
get_center() :
groupcoord.h
get_center_comm() :
groupcoord.h
get_commbuffer_counts() :
atomdistribution.h
get_compartment_boundaries() :
swapcoords.cpp
get_ddbox() :
box.cpp
,
box.h
get_f_norm_max() :
minimize.cpp
get_group_apm_check() :
swapcoords.cpp
get_header() :
strdb.h
get_index_of_distant_atom() :
swapcoords.cpp
get_initial_ioncounts() :
swapcoords.cpp
get_initial_ioncounts_from_cpt() :
swapcoords.cpp
get_lines() :
strdb.h
get_load_distribution() :
partition.cpp
get_molecule_center() :
swapcoords.cpp
get_nthreads_mpi() :
resourcedivision.h
,
resourcedivision.cpp
get_pme_ddranks() :
domdec.h
get_pull_coord_value() :
pull.h
get_state_f_norm_max() :
minimize.cpp
get_sum_of_positions() :
groupcoord.h
get_symtab_handle() :
symtab.cpp
,
symtab.h
get_tmpi_omp_thread_division() :
resourcedivision.cpp
get_zone_pulse_groups() :
partition.cpp
getClusterDistanceKernelType() :
clusterdistancekerneltype.h
getCompatibleDeviceIds() :
device_management.h
,
device_management_common.cpp
getCompatibleDevices() :
device_management.h
,
device_management_common.cpp
getCoulombKernelType() :
kernel_common.h
getDatabaseEntry() :
resall.h
getDDGridSetup() :
domdec_setup.cpp
,
domdec_setup.h
getDDGridSetupCellSizeLimit() :
domdec_setup.cpp
,
domdec_setup.h
getDeviceCompatibilityDescription() :
device_management.h
,
device_management_common.cpp
getDeviceComputeUnitFactor() :
device_management.h
,
device_management_common.cpp
getDeviceInformationString() :
device_management.cpp
,
device_management.h
,
device_management_hip.cpp
,
device_management_ocl.cpp
,
device_management_sycl.cpp
getDeviceVendor() :
device_management.h
,
device_management_common.cpp
getFftBackend() :
pme_gpu_internal.cpp
getGpuImplementationString() :
baseversion.h
getGridSpacingFromBox() :
pme.h
,
pme.cpp
getIntelHardwareVersionFromPciExpressID() :
device_management_sycl_intel_device_ids.cpp
,
device_management_sycl_intel_device_ids.h
getMaxNumExclusionsPerAtom() :
reversetopology.cpp
getMinimalSupportedGpuAwareMpiStatus() :
device_management.h
,
device_management_common.cpp
getNumPmeDomains() :
domdec.h
getNumPmeOnlyRanksToUse() :
domdec_setup.cpp
getPressureTolerance() :
pairlist_tuning.cpp
getRandomIntArray() :
gmx_wham.cpp
getRequestedChargeImbalance() :
swapcoords.cpp
getSplineParamIndex() :
pme_gpu_calculate_splines.h
,
pme_gpu_calculate_splines_sycl.h
getSplineParamIndexBase() :
pme_gpu_calculate_splines.h
,
pme_gpu_calculate_splines_sycl.h
getVdwKernelType() :
kernel_common.h
getWholeMoleculeCoordinates() :
computemultibodycutoffs.cpp
glatnr() :
listed_internal.cpp
,
listed_internal.h
global_max() :
tpi.cpp
globalAtomIndexToMoltypeIndices() :
reversetopology.cpp
,
reversetopology.h
gmx_abort() :
basenetwork.h
gmx_ana_index_check_range() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_check_sorted() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_clear() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_contains() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_copy() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_deinit() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_difference() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_difference_size() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_dump() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_equals() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_get_max_index() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_has_complete_elems() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_has_full_ablocks() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_has_full_blocks() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_init_simple() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_intersection() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_make_block() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_merge() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_partition() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_remove_duplicates() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_reserve() :
indexutil.h
,
indexutil.cpp
gmx_ana_index_set() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_sort() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_squeeze() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_union() :
indexutil.cpp
,
indexutil.h
gmx_ana_index_union_unsorted() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexgrps_extract() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexgrps_find() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexgrps_free() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexgrps_init() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexgrps_print() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_clear() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_copy() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_deinit() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_init() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_init_orgid_group() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_reserve() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_set_static() :
indexutil.cpp
,
indexutil.h
gmx_ana_indexmap_update() :
indexutil.cpp
,
indexutil.h
gmx_ana_pos_add_to_group() :
position.cpp
,
position.h
gmx_ana_pos_append() :
position.cpp
,
position.h
gmx_ana_pos_append_finish() :
position.cpp
,
position.h
gmx_ana_pos_append_init() :
position.cpp
,
position.h
gmx_ana_pos_copy() :
position.cpp
,
position.h
gmx_ana_pos_empty() :
position.cpp
,
position.h
gmx_ana_pos_empty_init() :
position.cpp
,
position.h
gmx_ana_pos_init_const() :
position.cpp
,
position.h
gmx_ana_pos_reserve() :
position.cpp
,
position.h
gmx_ana_pos_reserve_for_append() :
position.cpp
,
position.h
gmx_ana_pos_reserve_forces() :
position.cpp
,
position.h
gmx_ana_pos_reserve_velocities() :
position.cpp
,
position.h
gmx_ana_pos_set_nr() :
position.cpp
,
position.h
gmx_ana_poscalc_free() :
poscalc.cpp
,
poscalc.h
gmx_ana_poscalc_init_pos() :
poscalc.cpp
,
poscalc.h
gmx_ana_poscalc_required_topology_info() :
poscalc.cpp
,
poscalc.h
gmx_ana_poscalc_set_flags() :
poscalc.cpp
,
poscalc.h
gmx_ana_poscalc_set_maxindex() :
poscalc.cpp
,
poscalc.h
gmx_ana_poscalc_update() :
poscalc.cpp
,
poscalc.h
gmx_ana_selmethod_find_param() :
selmethod.cpp
,
selmethod.h
gmx_ana_selmethod_register() :
selmethod.cpp
,
selmethod.h
gmx_ana_selmethod_register_defaults() :
selmethod.cpp
,
selmethod.h
gmx_ana_selparam_find() :
params.cpp
,
selparam.h
gmx_awh() :
gmx_awh.cpp
gmx_calc_cog() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_cog_block() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_cog_f() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_cog_f_block() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_cog_pbc() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_com() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_com_block() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_com_f() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_com_f_block() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_com_pbc() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_comg() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_comg_block() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_comg_blocka() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_comg_f() :
centerofmass.h
,
centerofmass.cpp
gmx_calc_comg_f_block() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_comg_f_blocka() :
centerofmass.cpp
,
centerofmass.h
gmx_calc_comg_pbc() :
centerofmass.cpp
,
centerofmass.h
gmx_chdir() :
futil.h
gmx_check_thread_affinity_set() :
threadaffinity.h
gmx_ctime_r() :
sysinfo.h
,
sysinfo.cpp
gmx_cycles_calibrate() :
cyclecounter.h
gmx_cycles_have_counter() :
cyclecounter.h
gmx_cycles_read() :
cyclecounter.h
gmx_disable_file_buffering() :
futil.h
gmx_error_function() :
fatalerror.h
gmx_exit_on_fatal_error() :
fatalerror.h
gmx_fatal_mpi_va() :
fatalerror.h
gmx_fatal_set_log_file() :
fatalerror.h
gmx_fexist() :
futil.h
gmx_ffclose() :
futil.h
gmx_ffopen() :
futil.h
gmx_fft_1d() :
fft.h
gmx_fft_1d_real() :
fft.h
gmx_fft_2d_real() :
fft.h
gmx_fft_cleanup() :
fft.h
gmx_fft_destroy() :
fft.h
gmx_fft_init_1d() :
fft.h
gmx_fft_init_1d_real() :
fft.h
gmx_fft_init_2d_real() :
fft.h
gmx_fft_init_many_1d() :
fft.h
gmx_fft_init_many_1d_real() :
fft.h
gmx_fft_many_1d() :
fft.h
gmx_fft_many_1d_real() :
fft.h
gmx_fft_transpose_2d() :
fft.h
gmx_file_copy() :
futil.h
gmx_file_rename() :
futil.h
gmx_fio_lock() :
gmxfio_impl.h
gmx_fio_unlock() :
gmxfio_impl.h
gmx_fopen_temporary() :
futil.h
gmx_format() :
fatalerror.h
gmx_format_current_time() :
sysinfo.h
,
sysinfo.cpp
gmx_fseek() :
futil.h
gmx_fsync() :
futil.h
gmx_ftell() :
futil.h
gmx_getcwd() :
futil.h
gmx_gethostname() :
sysinfo.h
,
sysinfo.cpp
gmx_getpid() :
sysinfo.h
,
sysinfo.cpp
gmx_getuid() :
sysinfo.h
,
sysinfo.cpp
gmx_getusername() :
sysinfo.h
,
sysinfo.cpp
gmx_init_debug() :
fatalerror.h
gmx_is_double_precision() :
baseversion.h
gmx_is_single_precision() :
baseversion.h
gmx_many_fft_destroy() :
fft.h
gmx_mpi_initialized() :
basenetwork.h
gmx_node_num() :
basenetwork.h
gmx_node_rank() :
basenetwork.h
gmx_omp_check_thread_affinity() :
gmxomp.h
,
gmxomp.cpp
gmx_omp_get_max_threads() :
gmxomp.h
,
gmxomp.cpp
gmx_omp_get_num_procs() :
gmxomp.cpp
,
gmxomp.h
gmx_omp_get_thread_num() :
gmxomp.h
,
gmxomp.cpp
gmx_omp_set_num_threads() :
gmxomp.h
,
gmxomp.cpp
gmx_physicalnode_id_hash() :
basenetwork.h
gmx_pme_calc_energy() :
pme.h
,
pme.cpp
gmx_pme_check_restrictions() :
pme.h
,
pme.cpp
gmx_pme_destroy() :
pme.cpp
,
pme.h
,
pme.cpp
gmx_pme_do() :
pme.h
,
pme.cpp
gmx_pme_grid_matches() :
pme.cpp
,
pme.h
gmx_pme_init() :
pme.cpp
,
pme.h
gmx_pme_receive_f() :
pme_pp.cpp
,
pme_pp.h
gmx_pme_reinit() :
pme.h
,
pme.cpp
gmx_pme_reinit_atoms() :
pme.cpp
,
pme.h
gmx_pme_send_coeffs_coords() :
pme_pp.cpp
gmx_pme_send_coeffs_coords_wait() :
pme_pp.cpp
gmx_pme_send_coordinates() :
pme_pp.cpp
,
pme_pp.h
gmx_pme_send_finish() :
pme_pp.cpp
,
pme_pp.h
gmx_pme_send_parameters() :
pme_pp.cpp
,
pme_pp.h
gmx_pme_send_resetcounters() :
pme_pp.h
gmx_pme_send_switchgrid() :
pme_pp.cpp
,
pme_pp.h
gmx_pmeonly() :
pme_only.h
gmx_run_cmain() :
cmdlineinit.cpp
,
cmdlineinit.h
gmx_set_error_handler() :
fatalerror.h
gmx_set_max_backup_count() :
futil.h
gmx_set_nice() :
sysinfo.cpp
,
sysinfo.h
gmx_set_thread_affinity() :
threadaffinity.h
gmx_sfree_aligned_impl() :
smalloc.h
gmx_sfree_impl() :
smalloc.h
gmx_smalloc_impl() :
smalloc.h
gmx_snew_aligned_impl() :
smalloc.h
gmx_snew_impl() :
smalloc.h
gmx_srenew_impl() :
smalloc.h
gmx_stats_add_point() :
statistics.h
gmx_stats_free() :
statistics.h
gmx_stats_get_ab() :
statistics.h
gmx_stats_get_ase() :
statistics.h
gmx_stats_get_average() :
statistics.h
gmx_stats_init() :
statistics.h
gmx_step_str() :
cstringutil.h
gmx_strcasecmp() :
cstringutil.h
gmx_strcasecmp_min() :
cstringutil.h
gmx_strdup() :
cstringutil.h
gmx_string_fullhash_func() :
cstringutil.h
gmx_string_hash_func() :
cstringutil.h
gmx_strncasecmp() :
cstringutil.h
gmx_strncasecmp_min() :
cstringutil.h
gmx_strndup() :
cstringutil.h
gmx_sumd_sim() :
multisim.h
gmx_sumf_sim() :
multisim.h
gmx_sumi_sim() :
multisim.h
gmx_sumli_sim() :
multisim.h
gmx_tmpnam() :
futil.h
gmx_truncate() :
futil.h
gmx_version() :
baseversion.h
gmx_version_git_central_base_hash() :
baseversion.h
gmx_version_git_full_hash() :
baseversion.h
gmx_warning() :
fatalerror.h
gmx_wcmatch() :
cstringutil.h
gmx_wham() :
gmx_wham.cpp
gmxDOI() :
baseversion.h
gmxSmtIsUsedOnAllCores() :
resourcedivision.cpp
grid_jump_limit() :
cellsizes.h
guess_npme() :
domdec_setup.cpp
guessPbcType() :
pbc.cpp
guessPotByIntegration() :
gmx_wham.cpp
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