AFLOWpi
Contents:
plot module
prep module
pseudo module
retr module
run module
scfuj module
AFLOWpi
Docs
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Index
A
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B
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C
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D
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E
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F
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G
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H
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I
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K
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L
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M
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N
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O
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P
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Q
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R
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S
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T
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U
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V
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W
A
acbn0() (in module scfuj)
(prep.calcs_container method)
addatexit__() (in module run)
addToAll() (prep.calcs_container method)
addToAll_() (in module prep)
addToBlockWrapper() (in module prep)
aflow_conv2prim() (in module retr)
aflow_prim2conv() (in module retr)
askAFLOWpiVars() (in module prep)
B
bands() (in module plot)
(in module prep)
(in module run)
(prep.calcs_container method)
(prep.plotter method)
(prep.tb_plotter method)
(prep.tight_binding method)
bandsAflow() (in module prep)
brute_test() (in module pseudo)
build_calcs() (in module prep)
C
calcFromFile() (in module prep)
calcs_container (class in prep)
change_input() (prep.calcs_container method)
change_pseudos() (prep.calcs_container method)
changeCalcs() (in module prep)
checkOscillation() (in module scfuj)
chk_species() (in module scfuj)
chkSpinCalc() (in module scfuj)
cif2qe() (prep.isotropy method)
clean_cell_params() (in module run)
cleanCalcs() (in module prep)
cleanup() (in module run)
ConfigSectionMap() (in module prep)
construct_and_run() (in module prep)
conv_aflow2qe() (in module retr)
conv_qe2aflow() (in module retr)
conventional_cell_input() (prep.calcs_container method)
converge_smearing() (prep.calcs_container method)
convert() (prep.isotropy method)
crawl_min() (prep.calcs_container method)
crawlingMinimization() (in module pseudo)
D
distortionEnergy() (in module plot)
dos() (in module plot)
(in module run)
(prep.calcs_container method)
(prep.plotter method)
(prep.tb_plotter method)
(prep.tight_binding method)
doss() (in module prep)
E
effmass() (prep.tight_binding method)
elastic() (prep.calcs_container method)
emr() (in module run)
evCurve_min() (prep.calcs_container method)
evCurveMinimize() (in module scfuj)
extractvars() (in module prep)
F
from_file() (prep.init method)
G
generateAnotherCalc() (in module prep)
generateSubRef() (in module run)
get_cif() (prep.isotropy method)
get_initial_inputs() (prep.calcs_container method)
getMinimization() (in module pseudo)
getMPGrid() (in module prep)
getU_frmACBN0out() (in module scfuj)
grid_plot() (in module plot)
gvectors() (in module run)
H
hyperfine() (in module run)
I
increase_step() (prep.calcs_container method)
init (class in prep)
init__() (in module prep)
interpolatePlot() (in module plot)
interpolatePlot1D() (in module plot)
isotropy (class in prep)
items() (prep.calcs_container method)
(prep.init method)
iteritems() (prep.calcs_container method)
(prep.init method)
K
keys() (prep.calcs_container method)
(prep.init method)
L
line_prepender() (in module prep)
load() (prep.init method)
loadlogs() (in module prep)
lockAtomMovement() (in module prep)
M
maketree() (in module prep)
(in module scfuj)
modifyCalcs() (in module prep)
modifyInputPrefixPW() (in module prep)
modifyNamelistPW() (in module prep)
N
new_step() (prep.calcs_container method)
newstepWrapper() (in module prep)
nmr() (in module run)
nscf_nosym_noinv() (in module scfuj)
O
opdos() (in module plot)
(prep.plotter method)
(prep.tb_plotter method)
optical() (prep.tb_plotter method)
(prep.tight_binding method)
optical_plots() (in module plot)
P
pdos() (in module run)
phonon() (in module plot)
(prep.calcs_container method)
(prep.plotter method)
plot (module)
plot() (in module pseudo)
plotter (class in prep)
prep (module)
prep_fd() (in module run)
prep_split_step() (in module prep)
prim_aflow2qe() (in module retr)
prim_qe2aflow() (in module retr)
projwfc() (in module scfuj)
pseudo (module)
pseudo_test_brute() (prep.calcs_container method)
Q
qe_conv2prim() (in module retr)
qe_prim2conv() (in module retr)
R
radialPDF() (in module plot)
read_transport_datafile() (in module plot)
reduce_kpoints() (in module run)
relax() (prep.calcs_container method)
remove_blank_lines() (in module prep)
reset_logs() (in module run)
resubmit() (in module run)
(prep.calcs_container method)
retr (module)
run (module)
run() (in module scfuj)
run_transport() (in module scfuj)
runAfterAllDone() (in module prep)
S
scf() (in module run)
(prep.calcs_container method)
scfprep() (in module scfuj)
scfs() (in module prep)
(prep.init method)
scfuj (module)
status() (prep.init method)
submit() (in module run)
(prep.calcs_container method)
submitFirstCalcs__() (in module run)
T
tb_plotter (class in prep)
tb_prep() (in module scfuj)
testOne() (in module run)
thermal() (prep.calcs_container method)
tight_binding (class in prep)
tight_binding() (prep.calcs_container method)
totree() (in module prep)
transport() (prep.tb_plotter method)
(prep.tight_binding method)
transport_plots() (in module plot)
transport_prep() (in module scfuj)
U
unlockAtomMovement() (in module prep)
updatelogs() (in module prep)
updateStructs() (in module prep)
updateUvals() (in module scfuj)
V
values() (prep.calcs_container method)
(prep.init method)
varyCellParams() (in module prep)
vcrelax() (prep.calcs_container method)
W
WanT_bands() (in module scfuj)
want_bands_prep() (in module scfuj)
WanT_dos() (in module scfuj)
want_dos_prep() (in module scfuj)
want_eff_mass_prep() (in module scfuj)
WanT_epsilon() (in module scfuj)
want_epsilon_prep() (in module scfuj)
write_fdx_template() (in module run)
writeToScript() (in module prep)