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Complete AtomsCalculators units interface for ET StackedCalculator - #331

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Complete AtomsCalculators units interface for ET StackedCalculator#331
Alexsp32 with Copilot wants to merge 2 commits into
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copilot/fix-atoms-calculators-interface

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Copilot AI commented Oct 23, 2026 •
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ETModels.StackedCalculator instances returned by convert2et_full lacked the unit metadata required by AtomsCalculators. Add the missing energy and length unit methods, matching the units used by ET calculator results.

  • Interface: energy_unit(calc) returns u"eV" and length_unit(calc) returns u"Å" for StackedCalculator.
  • Regression coverage: Assert both units on a convert2et_full result.
calc = ETModels.convert2et_full(model, ps, st)
AtomsCalculators.energy_unit(calc) # u"eV"
AtomsCalculators.length_unit(calc) # u"Å"

Copilot AI linked an issue Oct 23, 2026 that may be closed by this pull request
AtomsCalculators interface incomplete for ETModels #330
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Add units interface to ET stacked calculators
ca65202 
Co-authored-by: Alexsp32 <39826690+Alexsp32@users.noreply.github.com>
Copilot AI changed the title [WIP] Fix AtomsCalculators interface for ETModels Complete AtomsCalculators units interface for ET StackedCalculator Oct 23, 2026
Copilot AI requested a review from Alexsp32 October 23, 2026 09:49

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AtomsCalculators interface incomplete for ETModels

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