Quantas command line

The command reference is generated directly from the public Click application. Consequently, command names, option types, accepted choices, defaults, option groups, and long-form help are version-matched to the installed Quantas source. The surrounding pages add workflow context without copying the parser specification by hand.

Start by selecting a scientific group:

quantas ha --help
quantas qha --help
quantas elasticity --help
quantas seismic --help
quantas eos --help
quantas thermoelasticity --help

Most calculations follow run -> inspect/plot/export. EOS uses a persistent record archive because one dataset commonly produces several candidate fits; Thermoelasticity separates calibration from point, grid, and profile analysis. Those differences are explained in the corresponding module pages.

Before using the generated option lists, read Command-line conventions for range syntax, repeatable options, units, reports, overwrite behavior, plotting presets, and exit statuses.

Command groups

Group	Primary purpose	Typical persisted result
ha	Harmonic thermodynamics at fixed sampled volumes	HA HDF5 archive
qha	Equilibrium properties over pressure and temperature	QHA HDF5 archive
elasticity	Stability, aggregate moduli, and directional elasticity	Elasticity HDF5 archive
seismic	Christoffel phase/group fields, polarization, and enhancement	SEISMIC HDF5 archive
eos	P–V, V–T, and P–V–T candidate fitting and record management	Persistent EOS archive
thermoelasticity	Cold finite-strain calibration and QSA evaluation	Fit, grid, or profile HDF5 archive

Top-level command

quantas

Quantas command-line interface.

Choose a scientific command group and then a subcommand such as ‘run’, ‘plot’, ‘export’, or ‘inspect’. The CLI is a frontend over the same public workflow APIs used from Python; presentation choices never change the underlying float64 scientific calculation.

Use ‘quantas COMMAND –help’ and ‘quantas COMMAND SUBCOMMAND –help’ to inspect the version-matched options installed on the current system.

Usage

quantas [OPTIONS] COMMAND [ARGS]...

Options

-v, --version

Show the installed Quantas version banner and exit before command dispatch. Use this value when reporting results or reproducing a workflow.

Commands

elasticity

Analyze a second-order elastic stiffness tensor.

eos

Fit equations of state and manage persistent EOS archives.

ha

Evaluate harmonic vibrational thermodynamics on one or more fixed volumes.

qha

Evaluate quasi-harmonic thermodynamics over pressure and temperature.

seismic

Calculate, persist, export, and plot anisotropic acoustic-wave properties.

thermoelasticity

Calibrate and evaluate quasi-static thermoelastic stiffness tensors.