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aflow 0.0.7 documentation
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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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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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V
A
ael_bulk_modulus_reuss (aflow.entries.Entry attribute)
ael_bulk_modulus_voigt (aflow.entries.Entry attribute)
ael_bulk_modulus_vrh (aflow.entries.Entry attribute)
ael_elastic_anistropy (aflow.entries.Entry attribute)
ael_poisson_ratio (aflow.entries.Entry attribute)
ael_shear_modulus_reuss (aflow.entries.Entry attribute)
ael_shear_modulus_voigt (aflow.entries.Entry attribute)
ael_shear_modulus_vrh (aflow.entries.Entry attribute)
aflow.caster (module)
aflow.control (module)
aflow.entries (module)
aflow.generators (module)
aflow.keywords (module)
aflow.utility (module)
aflow_version (aflow.entries.Entry attribute)
AflowFile (class in aflow.entries)
AflowFiles (class in aflow.entries)
aflowlib_date (aflow.entries.Entry attribute)
aflowlib_entries (aflow.entries.Entry attribute)
aflowlib_entries_number (aflow.entries.Entry attribute)
aflowlib_version (aflow.entries.Entry attribute)
agl_acoustic_debye (aflow.entries.Entry attribute)
agl_bulk_modulus_isothermal_300K (aflow.entries.Entry attribute)
agl_bulk_modulus_static_300K (aflow.entries.Entry attribute)
agl_debye (aflow.entries.Entry attribute)
agl_gruneisen (aflow.entries.Entry attribute)
agl_heat_capacity_Cp_300K (aflow.entries.Entry attribute)
agl_heat_capacity_Cv_300K (aflow.entries.Entry attribute)
agl_thermal_conductivity_300K (aflow.entries.Entry attribute)
agl_thermal_expansion_300K (aflow.entries.Entry attribute)
atoms() (aflow.entries.Entry method)
attributes (aflow.entries.Entry attribute)
auid (aflow.entries.Entry attribute)
aurl (aflow.entries.Entry attribute)
author (aflow.entries.Entry attribute)
B
bader_atomic_volumes (aflow.entries.Entry attribute)
bader_net_charges (aflow.entries.Entry attribute)
Bravais_lattice_orig (aflow.entries.Entry attribute)
Bravais_lattice_relax (aflow.entries.Entry attribute)
C
cache (aflow.keywords.Keyword attribute)
calculation_cores (aflow.entries.Entry attribute)
calculation_memory (aflow.entries.Entry attribute)
calculation_time (aflow.entries.Entry attribute)
cast() (in module aflow.caster)
catalog (aflow.control.Query attribute)
(aflow.entries.Entry attribute)
classes (aflow.keywords.Keyword attribute)
code (aflow.entries.Entry attribute)
composition (aflow.entries.Entry attribute)
compound (aflow.entries.Entry attribute)
corresponding (aflow.entries.Entry attribute)
D
data_api (aflow.entries.Entry attribute)
data_language (aflow.entries.Entry attribute)
data_source (aflow.entries.Entry attribute)
delta_electronic_energy_convergence (aflow.entries.Entry attribute)
delta_electronic_energy_threshold (aflow.entries.Entry attribute)
density (aflow.entries.Entry attribute)
dft_type (aflow.entries.Entry attribute)
docstrings (in module aflow.caster)
E
eentropy_atom (aflow.entries.Entry attribute)
eentropy_cell (aflow.entries.Entry attribute)
Egap (aflow.entries.Entry attribute)
Egap_fit (aflow.entries.Entry attribute)
Egap_type (aflow.entries.Entry attribute)
energy_atom (aflow.entries.Entry attribute)
energy_cell (aflow.entries.Entry attribute)
energy_cutoff (aflow.entries.Entry attribute)
enthalpy_atom (aflow.entries.Entry attribute)
enthalpy_cell (aflow.entries.Entry attribute)
enthalpy_formation_atom (aflow.entries.Entry attribute)
enthalpy_formation_cell (aflow.entries.Entry attribute)
entropic_temperature (aflow.entries.Entry attribute)
Entry (class in aflow.entries)
exceptions (in module aflow.caster)
exclude() (aflow.control.Query method)
excludes (aflow.control.Query attribute)
F
filter() (aflow.control.Query method)
filters (aflow.control.Query attribute)
finalize() (aflow.control.Query method)
forces (aflow.entries.Entry attribute)
G
geometry (aflow.entries.Entry attribute)
K
k (aflow.control.Query attribute)
Keyword (class in aflow.keywords)
keywords (aflow.entries.Entry attribute)
keywords() (in module aflow.generators)
kpoints (aflow.entries.Entry attribute)
L
lattice_system_orig (aflow.entries.Entry attribute)
lattice_system_relax (aflow.entries.Entry attribute)
lattice_variation_orig (aflow.entries.Entry attribute)
lattice_variation_relax (aflow.entries.Entry attribute)
ldau_TLUJ (aflow.entries.Entry attribute)
load() (in module aflow.keywords)
load_module() (in module aflow.utility)
loop (aflow.entries.Entry attribute)
M
matchbook() (aflow.control.Query method)
max_N (aflow.control.Query attribute)
N
N (aflow.control.Query attribute)
n (aflow.control.Query attribute)
name (aflow.keywords.Keyword attribute)
natoms (aflow.entries.Entry attribute)
nbondxx (aflow.entries.Entry attribute)
next() (aflow.control.Query method)
node_CPU_Cores (aflow.entries.Entry attribute)
node_CPU_MHz (aflow.entries.Entry attribute)
node_CPU_Model (aflow.entries.Entry attribute)
node_RAM_GB (aflow.entries.Entry attribute)
nspecies (aflow.entries.Entry attribute)
O
orderby (aflow.control.Query attribute)
orderby() (aflow.control.Query method)
P
Pearson_symbol_orig (aflow.entries.Entry attribute)
Pearson_symbol_relax (aflow.entries.Entry attribute)
positions_cartesian (aflow.entries.Entry attribute)
positions_fractional (aflow.entries.Entry attribute)
pressure (aflow.entries.Entry attribute)
pressure_final (aflow.entries.Entry attribute)
pressure_residual (aflow.entries.Entry attribute)
prototype (aflow.entries.Entry attribute)
ptype (aflow.keywords.Keyword attribute)
ptype() (in module aflow.caster)
Pulay_stress (aflow.entries.Entry attribute)
Pullay_stress (aflow.entries.Entry attribute)
PV_atom (aflow.entries.Entry attribute)
PV_cell (aflow.entries.Entry attribute)
Q
Query (class in aflow.control)
R
raw (aflow.entries.Entry attribute)
reporoot (in module aflow.utility)
reset() (in module aflow.keywords)
reset_iter() (aflow.control.Query method)
responses (aflow.control.Query attribute)
reverse (aflow.control.Query attribute)
S
scintillation_attenuation_length (aflow.entries.Entry attribute)
search() (in module aflow.control)
select (aflow.control.Query attribute)
select() (aflow.control.Query method)
server (in module aflow.control)
sg (aflow.entries.Entry attribute)
sg2 (aflow.entries.Entry attribute)
spacegroup_orig (aflow.entries.Entry attribute)
spacegroup_relax (aflow.entries.Entry attribute)
species (aflow.entries.Entry attribute)
species_pp (aflow.entries.Entry attribute)
species_pp_version (aflow.entries.Entry attribute)
species_pp_ZVAL (aflow.entries.Entry attribute)
spin_atom (aflow.entries.Entry attribute)
spin_cell (aflow.entries.Entry attribute)
spinD (aflow.entries.Entry attribute)
spinF (aflow.entries.Entry attribute)
sponsor (aflow.entries.Entry attribute)
state (aflow.keywords.Keyword attribute)
step (aflow.control.Query attribute)
stoich (aflow.entries.Entry attribute)
stoichiometry (aflow.entries.Entry attribute)
stress_tensor (aflow.entries.Entry attribute)
V
valence_cell_iupac (aflow.entries.Entry attribute)
valence_cell_std (aflow.entries.Entry attribute)
volume_atom (aflow.entries.Entry attribute)
volume_cell (aflow.entries.Entry attribute)
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