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- c -
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_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_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
calculateSimpleBond() :
bonded.cpp
,
bonded.h
calcVibrationalHeatCapacity() :
thermochemistry.h
calcVibrationalInternalEnergy() :
thermochemistry.h
calcZeroPointEnergy() :
thermochemistry.h
can_use_base() :
poscalc.cpp
canPerformDeviceDetection() :
device_management.h
,
device_management_common.cpp
change_dd_cutoff() :
domdec.h
check_assign_interactions_atom() :
domdec_topology.cpp
check_atomtype() :
sm_simple.cpp
check_box() :
pbc.cpp
check_callbacks() :
selmethod.cpp
check_charge() :
sm_simple.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_multi_int() :
multisim.cpp
,
multisim.h
check_multi_int64() :
multisim.cpp
,
multisim.h
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_swap_groups() :
swapcoords.cpp
checkAndUpdateHardwareOptions() :
resourcedivision.cpp
,
resourcedivision.h
checkAndUpdateRequestedNumOpenmpThreads() :
resourcedivision.cpp
,
resourcedivision.h
checkDevice() :
device_management_sycl.cpp
checkDeviceBuffer() :
devicebuffer_ocl.h
,
devicebuffer_sycl.h
checkForValidRankCountRequests() :
domdec_setup.cpp
,
domdec_setup.h
checkNumberOfBondedInteractions() :
partition.cpp
,
partition.h
checkReactionCoordinateCovered() :
gmx_wham.cpp
checkRequiredWarpSize() :
pme_gpu_program_impl_ocl.cpp
clear_dd_cycle_counts() :
dlbtiming.h
clear_fshift() :
kernel_common.cpp
,
kernel_common.h
clear_pull_forces() :
pull.h
clear_surface_points() :
sm_insolidangle.cpp
clearBufferAll() :
kernel_common.cpp
clearBufferFlagged() :
kernel_common.cpp
clearCommSetupData() :
partition.cpp
clearDDStateIndices() :
partition.cpp
clearDeviceBufferAsync() :
devicebuffer_ocl.h
,
devicebuffer_sycl.h
clearForceBuffer() :
kernel_common.cpp
,
kernel_common.h
clearModificationBlock() :
hackblock.h
close_symtab() :
symtab.cpp
,
symtab.h
cmap_dihs() :
bonded.cpp
,
bonded.h
cmp_bool() :
compare.h
cmp_double() :
compare.h
cmp_float() :
compare.h
cmp_int() :
sm_same.cpp
,
compare.h
cmp_int64() :
compare.h
cmp_range() :
params.cpp
cmp_real() :
compare.h
cmp_str() :
sm_same.cpp
,
compare.h
cmp_uc() :
compare.h
cmp_us() :
compare.h
combine_idef() :
domdec_topology.cpp
comm_box_frac() :
domdec_setup.h
,
domdec_setup.cpp
comm_cost_est() :
domdec_setup.cpp
comm_dd_ns_cell_sizes() :
partition.cpp
comm_pme_cost_vol() :
domdec_setup.cpp
communicate_group_positions() :
groupcoord.h
communicateGpuHaloCoordinates() :
domdec.h
communicateGpuHaloForces() :
domdec.h
comp_state() :
state.h
compact_unitcell_edges() :
pbc.cpp
comparison_type() :
sm_compare.cpp
comparison_type_str() :
sm_compare.cpp
compartment_contains_atom() :
swapcoords.cpp
complexConjugatMult() :
crosscorr.cpp
compute_factors_cbtdihs() :
restcbt.h
,
restcbt.cpp
compute_factors_restangles() :
restcbt.cpp
,
restcbt.h
compute_factors_restrdihs() :
restcbt.cpp
,
restcbt.h
computeAverageForce() :
gmx_wham.cpp
computeEnergy() :
bonded.h
computeEnergyOrVirial() :
bonded.h
computeVirial() :
bonded.h
constructGpuHaloExchange() :
domdec.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
copy_rvec_to_nbat_real() :
atomdata.h
copyFromDeviceBuffer() :
devicebuffer_ocl.h
,
devicebuffer_sycl.h
copyIndicesToGroup() :
swapcoords.cpp
copyModificationBlocks() :
hackblock.h
copyPreprocessResidues() :
hackblock.h
copyToDeviceBuffer() :
devicebuffer_sycl.h
,
devicebuffer_ocl.h
correct_box() :
pbc.cpp
correct_box_elem() :
pbc.cpp
create_simple_base() :
poscalc.cpp
create_subexpression_name() :
compiler.cpp
create_synthetic_histo() :
gmx_wham.cpp
cross_corr() :
crosscorr.h
,
crosscorr.cpp
cross_corr_low() :
crosscorr.cpp
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