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@JonathonMisiewicz JonathonMisiewicz commented Dec 13, 2021

Description

This PR does cleanup in dmrgscf to mark variables const, remove non-RAII dynamic memory, and switch from pointers to references where possible. This PR is in preparation for updating the deprecated molden call.

Todos

  • DMRG memory and const cleanup

Checklist

  • DMRG tests still pass

Status

  • Ready for review
  • Ready for merge squash

@JonathonMisiewicz JonathonMisiewicz added the cleanup For issues where the goal is to make Psi4 a little cleaner. label Dec 13, 2021
@loriab loriab added this to the Psi4 1.6 milestone Dec 16, 2021
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@andysim andysim left a comment

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Nice cleanup!

@andysim andysim merged commit 2feab68 into psi4:master Dec 17, 2021
@JonathonMisiewicz JonathonMisiewicz deleted the dmrg branch December 17, 2021 13:52
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4 participants