INTRODUCTION
GETTING STARTED
SCIENTIFIC BACKGROUND
IMPLEMENTATION AND WORKFLOWS
freq
td
local_grid
analytic
phase
group
enhancement
batch_size=512
512
TUTORIALS
INPUT AND OUTPUT FORMATS
[metadata]
[input]
[batch]
[defaults]
[defaults.pv]
[defaults.vt]
[defaults.pvt]
[presentation]
[job NAME]
COMMAND REFERENCE
quantas ha
quantas qha
quantas elasticity
quantas seismic
quantas eos
run
quantas thermoelasticity
API REFERENCE
InputData
PhononInputData
PhononInputData.natoms_per_formula_unit
PhononInputData.nvol
PhononInputData.nmodes
PhononInputData.kpoints
PhononInputData.total_q_points
PhononInputData.normalized_weights()
PhononInputData.has_structure()
PhononInputData.has_phonons()
ResultData
ResultData.add_result()
ResultData.add_warning()
ResultMetadata
PhononInterface
StructureVolumeSeries
StructureVolumeSeries.nvol
StructureVolumeSeries.natoms
StructureVolumeSeries.has_source_supercells()
StructureVolumeSeries.as_dict()
CrystalStructure
CrystalStructure.natoms
CrystalStructure.volume
CrystalStructure.spglib_cell()
CrystalStructure.as_dict()
SymmetryMetadata
SymmetryMetadata.as_dict()
TensorRotation
TensorRotation.from_matrix()
TensorRotation.from_xyz()
TensorRotation.as_mapping()
TensorRotationKind
get_result_payload()
ReportTable
EventLevel
Event
EventRecord
EventRecord.from_event()
Observer
CallbackObserver
ListObserver
NullObserver
PlotKind
PlotContextValue
PlotPropertyDescriptor
PlotRepresentationDescriptor
PlotContextDescriptor
PlotInventory
PlotInventory.property_by_key()
PlotInventory.representation_by_key()
PlotInventory.context_by_key()
AxisLocation
AxisOrientation
BandOrientation
LineStyle
PlotAxis
PlotSeriesStyle
PlotSeries
PlotBandStyle
PlotBand
ColoredPathStyle
ColoredPathSeries
SecondaryAxis
PlotSpan
PlotMask
ScalarBackground
LinePlotSpec
ContourPlotSpec
PolarPlotPanel
PolarPlotSpec
SurfaceStyle
SurfaceLayer
VectorFieldStyle
VectorFieldLayer
SurfacePlotSpec
SphericalProjection
SphericalMarker
AxisFieldLayer
SphericalMapSpec
SphericalSummarySpec
PanelPlotSpec
PlotSpec
PlotCollection
Input
Options
PlotOptions
CurveAxis
Result
KiefferVolumeSeries
KiefferVolumeSeries.volumes
KiefferVolumeSeries.frequencies_hz
KiefferVolumeSeries.effective_velocities_km_s
create_input()
add_kieffer_input()
read_input()
read_kieffer_input()
normalize_input()
run()
get_result()
build_report()
describe_plots()
build_plots()
write_result()
read_result()
write_table()
Scheme
Minimization
ThermalExpansionMethod
PolynomialDerivativeMethod
ModeContinuity
FitFailurePolicy
TableFileFormat
TableFormat
Preview
available_energy_eos()
inspect()
build_inspection_report()
build_inspection_plots()
ValidationSummary
PropertyDifference
validate_result()
compare_results()
list_plot_properties()
SurfaceOptions
InputInterface
PlotProperty
SurfaceProperty
SurfaceGeometry
build_2d_plots()
build_3d_plots()
ElasticMedium
Hemisphere
SamplingLevel
WaveMode
SurfaceType
build_summary()
build_surfaces()
write_csv()
RenderedPlot
PlotRenderResult
PlotRenderResult.figures
PlotRenderResult.paths
render_table()
render_tables()
render_plots()
DepthProfile
Model
Preset
preset_names()
presets()
build_preset()
from_mapping()
read_spec()
load_qha_result()
qha_to_thermoelastic_context()
thermoelastic_to_seismic()
Capability
ModuleDescriptor
ModuleDescriptor.load()
ModuleDescriptor.has()
ModuleDescriptor.operation()
ModuleDescriptor.list_operations()
ModuleDescriptor.operations_for()
ModuleDescriptor.named_operation()
ModuleDescriptor.resolve_type()
ModuleDescriptor.input_type
ModuleDescriptor.options_type
ModuleDescriptor.result_type
OperationDescriptor
OperationDescriptor.resolve()
get()
iter_modules()
list_modules()
module_from_result()
open_result()
SCIENTIFIC VALIDATION
DEVELOPMENT GUIDE
__all__
None