Implementation and workflows

This section explains how Quantas turns the scientific models described in Scientific background into reproducible numerical workflows. The emphasis is not on private classes or source-code organization, but on the scientific and numerical decisions exposed to users:

• which representation is fitted or interpolated;

• which approximation is selected by default and why;

• which alternatives are available;

• which diagnostics must be inspected;

• which controls change accuracy, robustness, memory use, or execution time;

• which warnings indicate extrapolation or a degraded calculation.

The pages complement, but do not duplicate, the worked examples in Tutorials or the exact option syntax in Quantas command line.

• Concepts and conventions

• Harmonic Approximation: implementation and workflow

• Quasi-Harmonic Approximation: implementation and workflow

• Elasticity analysis: implementation and workflow

• Seismic-wave analysis: implementation and workflow

• EOS fitting: implementation and workflow

• Thermoelasticity: implementation and workflow

• Interoperability between workflows