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potential_ moved to subclasses. #2889

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merged 2 commits into from
Feb 27, 2023

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JonathonMisiewicz
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Description

The potential_ of SCF subclasses has been moved.

Dev notes & details

  • The HF base class has been weakened from having a std::shared_ptr<VBase> potential_ to having a method get_potential() that returns a std::shared_ptr<VBase>. After Triplet TDDFT #2885, the subclasses may need to access subclass-specific methods.

Checklist

  • Quicktests pass

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.8 milestone Feb 25, 2023
@JonathonMisiewicz JonathonMisiewicz mentioned this pull request Feb 25, 2023
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psi4/src/psi4/libscf_solver/hf.h Outdated Show resolved Hide resolved
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@jturney jturney left a comment

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Looks great!

@JonathonMisiewicz JonathonMisiewicz merged commit 9977860 into psi4:master Feb 27, 2023
@JonathonMisiewicz JonathonMisiewicz deleted the 2885_move_potential branch February 27, 2023 15:35
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3 participants