Model Loading

Packaged names and explicit files enter the same mapped-model interface. BUILTIN_MODELS is the authoritative list shipped in the installed package. A real filesystem path takes precedence over a packaged alias, and the optional .yaml suffix is accepted for built-in names.

YAML and joblib inputs reconstruct Python objects and must be trusted. Use the release checksums in Choosing a CIDER Functional when an exact artifact identity matters.

ciderpress.dft.model_utils.get_builtin_model_name(value)

Return the packaged model selected by value, if any.

Existing file paths return None because explicit files take precedence over packaged short names in load_cider_model().

ciderpress.dft.model_utils.get_slxc_settings(xc, xkernel, ckernel, xmix)

ciderpress.dft.model_utils.load_cider_model(mlfunc, mlfunc_format=None)

ciderpress.dft.model_utils.validate_cider_composition(mlfunc, *, xmix, xkernel, ckernel, xc=None, backend='CiderPress')

Reject additive semilocal terms for mapped full-XC models.

A MappedXC2 object may represent exchange alone or a complete exchange-correlation model. Mixing a full-XC model with an external exchange or correlation kernel changes the functional and, in GPAW’s historical default configuration, silently double-counts PBE correlation.