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@ylee88
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@ylee88 ylee88 commented Mar 4, 2025

Proposed changes

Introducing templates for the classes derived from SPOSetT<T>. This is the following change towards a unified build for real, complex, and mixed-precision, starting from #5306.

What type(s) of changes does this code introduce?

  • Code style update (formatting, renaming)
  • Refactoring (no functional changes, no api changes)

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • Yes/No. Code added or changed in the PR has been clang-formatted
  • No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • No. Documentation has been added (if appropriate)

@ye-luo
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ye-luo commented Mar 10, 2025

Could you make a new PR by cherry-picking ConstantSPOSet, CompositeSPOSet and DummySPOSetWithMW changes. DummySPOSetWithoutMW was removed earlier. Basically leaving out RotatedSPO.

@ylee88
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ylee88 commented Mar 11, 2025

@ye-luo I still see DummySPOSetWithoutMW in the develop branch:

class DummySPOSetWithoutMW : public SPOSet

Is there a pending PR removing that?

@ylee88
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ylee88 commented Mar 11, 2025

A subset of this PR superseded in #5373.

@ye-luo
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ye-luo commented Nov 14, 2025

This PR is stalled due to the need of clean up ParticleSet, it should not carry wavefunction related objects like P.G/P.L.

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2 participants