EmpiricalDispersionModel

[EBB2675]

Purpose

This PR refines the dispersion schema to cover empirical dispersion models only and removes non-empirical/nonlocal correlation entries from this path.

After some parsing and discussions with Denis, we realized that EmpiricalDispersionModel would be a better fit here

Scope

Included

• Renamed the dispersion contribution class to EmpiricalDispersionModel for consistency with existing semantics.
• Restricted supported dispersion model types to empirical families (e.g. D2/D3/D3BJ/D4/TS/TS-SCS/MBD/MBD@rsSCS/XDM).
• Removed nonlocal-correlation-specific options from this branch of the schema.
• Updated related dispersion numerical settings and tests to match the empirical-only scope.

Out of scope

• Nonlocal correlation will be implemented separately as NonlocalCorrelation in another branch/PR implement NonlocalCorrelation #328

Context & Links

Reminder: Link related issues or PRs (in the sidebar or below). Add short description for any needed context.

• NonlocalCorrelation implement NonlocalCorrelation #328

Reviewer Notes

I renamed the related numerical settings to EmpiricalDispersionKnob and EmpiricalDispersionSettings to match EmpiricalDispersionModel and to keep this branch empirical-only. Do you prefer these explicit names, or shorter DispersionKnob/DispersionSettings with the empirical scope implied by context?

Status

• Draft / In progress
• Ready for review
• Blocked (explain):

Breaking Changes

• (explain):
  It renames sections, but these have not yet been used in any of the merged parsers

Dependencies / Blockers

• None
• Open design questions (explain):
• External dependencies (explain):

Testing / Validation

How was this change validated?

• None (explain):
• Unit tests
• Integration tests
• Manual testing (explain):

[Copilot]

Pull request overview

This PR narrows the dispersion-related schema to empirical dispersion corrections only by renaming the contribution section to EmpiricalDispersionModel and removing nonlocal-correlation-specific entries from this schema path (to be handled separately via NonlocalCorrelation).

Changes:

• Renamed ExplicitDispersionModel to EmpiricalDispersionModel and restricted the allowed model enum to empirical families only.
• Removed nonlocal-correlation-related fields/options (e.g., VV10/rVV10 families, nonlocal_kernel, is_embedded_in_xc) from the empirical dispersion contribution and numerical knob schema.
• Updated unit tests to use EmpiricalDispersionModel.

Reviewed changes

Copilot reviewed 3 out of 3 changed files in this pull request and generated no comments.

File	Description
tests/test_model_method.py	Updates imports/usage and assertions to the renamed EmpiricalDispersionModel.
src/nomad_simulations/schema_packages/numerical_settings.py	Refines dispersion knob/settings semantics to empirical-only (removes nonlocal-kernel-related enum values/docs).
src/nomad_simulations/schema_packages/model_method.py	Renames the dispersion contribution section and removes nonlocal-correlation variants/options from the empirical dispersion model enum/schema.

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[Bernadette-Mohr]

Not my domain exactly, but looks fine to me!

[ndaelman-hu]

Update to section names and definition terminology. Passes the testing. All good.