API reference¶
Generated from the source by autodoc, one page per subpackage.
What is public¶
The public API is exactly the names exported in each submodule’s __all__.
Anything with a leading underscore, and any name not in an __all__, is
private and may change without notice. While the version is 0.y.z, minor
releases may contain breaking changes to the public API; they are called out in
CHANGELOG.md. See ADR 0004 (docs/adr/0004-public-api-stability-policy.md)
for the full policy, including the provisional marker and the post-1.0
deprecation rule.
Every recoverable error is a subclass of qscat.exceptions.QscatError, so
except QscatError is a valid catch-all.
The layers¶
layer |
modules |
what lives here |
|---|---|---|
Engine |
The model-independent scattering engine, and the per-molecule potentials it consumes. |
|
Numerics |
qscat.dvr, qscat.ecs, qscat.linalg, qscat.evolution, qscat.special |
FEM-DVR grids, the complex-scaling map, sparse linear algebra, time propagators, radial/Coulomb special functions. |
Tooling |
Deriving a grid from a potential; rendering wavefunctions. |
|
Base |
Unit conversions and the exception hierarchy. |
qscat.core never imports qscat.model at runtime — it depends only on the
ResonanceModel protocol. Adding a molecule is a registry entry, never solver
code.