Index

B

backward() (pyzfs.common.ft.FourierTransform method)

C

Cell (class in pyzfs.common.cell) cell (pyzfs.common.wfc.wavefunction.Wavefunction attribute) (pyzfs.zfs.main.ZFSCalculation attribute)

collect() (pyzfs.common.parallel.DistributedMatrix method) compute_psir_from_psig_arr() (pyzfs.common.wfc.wavefunction.Wavefunction method)

D

D (pyzfs.zfs.main.ZFSCalculation attribute) ddig (pyzfs.zfs.main.ZFSCalculation attribute)

DistributedMatrix (class in pyzfs.common.parallel) documentation

F

forward() (pyzfs.common.ft.FourierTransform method) FourierTransform (class in pyzfs.common.ft)

ft (pyzfs.common.wfc.wavefunction.Wavefunction attribute) (pyzfs.zfs.main.ZFSCalculation attribute)

G

get_psir() (pyzfs.common.wfc.wavefunction.Wavefunction method) get_rhog() (pyzfs.common.wfc.wavefunction.Wavefunction method)

get_triu_iterator() (pyzfs.common.parallel.SymmetricDistributedMatrix method) get_xml() (pyzfs.zfs.main.ZFSCalculation method) gtol() (pyzfs.common.parallel.DistributedMatrix method)

I

I (pyzfs.zfs.main.ZFSCalculation attribute) Iglobal (pyzfs.zfs.main.ZFSCalculation attribute) installation

interp() (pyzfs.common.ft.FourierTransform method) iorb_psir_map (pyzfs.common.wfc.wavefunction.Wavefunction attribute) iorb_sb_map (pyzfs.common.wfc.wavefunction.Wavefunction attribute)

L

load() (pyzfs.common.wfc.baseloader.WavefunctionLoader method)

ltog() (pyzfs.common.parallel.DistributedMatrix method)

N

norbs (pyzfs.common.wfc.wavefunction.Wavefunction attribute)

normalize() (pyzfs.common.wfc.wavefunction.Wavefunction method)

P

ProcessorGrid (class in pyzfs.common.parallel) pyzfs.common.cell (module) pyzfs.common.ft (module)

pyzfs.common.parallel (module) pyzfs.common.wfc.baseloader (module) pyzfs.common.wfc.wavefunction (module) pyzfs.zfs.main (module)

S

sb_iorb_map (pyzfs.common.wfc.wavefunction.Wavefunction attribute) scan() (pyzfs.common.wfc.baseloader.WavefunctionLoader method)

SymmetricDistributedMatrix (class in pyzfs.common.parallel) symmetrize() (pyzfs.common.parallel.SymmetricDistributedMatrix method)

T

tutorial

W

Wavefunction (class in pyzfs.common.wfc.wavefunction)

WavefunctionLoader (class in pyzfs.common.wfc.baseloader) wfc (pyzfs.zfs.main.ZFSCalculation attribute)

Z

ZFSCalculation (class in pyzfs.zfs.main)