Index

A

accept() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] (coulomb_kmc.kmc_fmm_self_interaction.FMMSelfInteraction method) (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method)

add_flop_dict() (in module coulomb_kmc.common)

B

BCType (class in coulomb_kmc.common)

C

compute_energy() (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) compute_phi_local() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method) coulomb_kmc module coulomb_kmc.common module coulomb_kmc.kmc_direct module coulomb_kmc.kmc_dirichlet_boundary module coulomb_kmc.kmc_expansion_tools module coulomb_kmc.kmc_fmm module, [1]

coulomb_kmc.kmc_fmm_common module coulomb_kmc.kmc_fmm_self_interaction module coulomb_kmc.kmc_full_long_range module coulomb_kmc.kmc_inject_extract module coulomb_kmc.kmc_local module coulomb_kmc.kmc_mpi_decomp module coulomb_kmc.kmc_octal module

D

DiscoverInjectExtract (class in coulomb_kmc.kmc_inject_extract)

dot_vec() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method) dot_vec_multipole() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method)

E

energy (coulomb_kmc.kmc_fmm.KMCFMM attribute), [1] eval_field() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method)

extract() (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method)

F

FF_ONLY (coulomb_kmc.common.BCType attribute) FMMMPIDecomp (class in coulomb_kmc.kmc_mpi_decomp) FMMSelfInteraction (class in coulomb_kmc.kmc_fmm_self_interaction)

free() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] FREE_SPACE (coulomb_kmc.common.BCType attribute) free_win_ind() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method) FullLongRangeEnergy (class in coulomb_kmc.kmc_full_long_range)

G

get_energy() (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) get_energy_with_dats() (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) get_local_fmm_cell() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method) get_local_fmm_cell_array() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method)

get_old_energy() (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method) get_old_energy_with_dats() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] get_win_ind() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method)

I

initialise() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] (coulomb_kmc.kmc_fmm_self_interaction.FMMSelfInteraction method) (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method) (coulomb_kmc.kmc_octal.LocalCellExpansions method)

inject() (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method) InjectorExtractor (class in coulomb_kmc.kmc_inject_extract)

K

KMCFMM (class in coulomb_kmc.kmc_fmm), [1]

L

local_exp() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method) LocalCellExpansions (class in coulomb_kmc.kmc_octal)

LocalExpEval (class in coulomb_kmc.kmc_expansion_tools) LocalOctalBase (class in coulomb_kmc.kmc_fmm_common) LocalParticleData (class in coulomb_kmc.kmc_local)

M

mirror_state (coulomb_kmc.kmc_dirichlet_boundary.MirrorChargeSystem attribute) MirrorChargeSystem (class in coulomb_kmc.kmc_dirichlet_boundary) module coulomb_kmc coulomb_kmc.common coulomb_kmc.kmc_direct coulomb_kmc.kmc_dirichlet_boundary coulomb_kmc.kmc_expansion_tools coulomb_kmc.kmc_fmm, [1] coulomb_kmc.kmc_fmm_common coulomb_kmc.kmc_fmm_self_interaction coulomb_kmc.kmc_full_long_range coulomb_kmc.kmc_inject_extract coulomb_kmc.kmc_local coulomb_kmc.kmc_mpi_decomp coulomb_kmc.kmc_octal

multipole_exp() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method)

N

NEAREST (coulomb_kmc.common.BCType attribute)

new_flop_dict() (in module coulomb_kmc.common)

P

PairDirectFromDats (class in coulomb_kmc.kmc_direct) PBC (coulomb_kmc.common.BCType attribute) ProfInc (class in coulomb_kmc.common) propose() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] (coulomb_kmc.kmc_fmm_self_interaction.FMMSelfInteraction method) (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method) (coulomb_kmc.kmc_local.LocalParticleData method) (coulomb_kmc.kmc_octal.LocalCellExpansions method)

propose_extract() (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) propose_inject() (coulomb_kmc.kmc_inject_extract.InjectorExtractor method) propose_with_dats() (coulomb_kmc.kmc_fmm.KMCFMM method), [1] py_compute_phi_local() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method) py_multipole_exp() (coulomb_kmc.kmc_expansion_tools.LocalExpEval method) py_propose() (coulomb_kmc.kmc_full_long_range.FullLongRangeEnergy method)

S

setup_propose() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method)

setup_propose_with_dats() (coulomb_kmc.kmc_mpi_decomp.FMMMPIDecomp method) spherical() (in module coulomb_kmc.common)