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Fix error in libtrans #2857

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Merged
merged 1 commit into from
Jan 23, 2023
Merged

Fix error in libtrans #2857

merged 1 commit into from
Jan 23, 2023

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JonathonMisiewicz
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Description

Make example 1 of #2231 at least run. I'm not quite sure it's correct just yet, though.

User API & Changelog headlines

  • Fixed a bug causing crashes upon linearly dependent basis sets for some correlated methods.

Dev notes & details

  • We're copying SO-basis data into this and then transforming to the MO-basis, so yes, I'm quite sure this is the correct dimension.

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.8 milestone Jan 19, 2023
@maxscheurer maxscheurer merged commit b76cc86 into psi4:master Jan 23, 2023
@JonathonMisiewicz JonathonMisiewicz deleted the gh2231 branch January 23, 2023 17:39
@JonathonMisiewicz JonathonMisiewicz mentioned this pull request Apr 4, 2023
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@loriab loriab loriab approved these changes

@maxscheurer maxscheurer maxscheurer approved these changes

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@JonathonMisiewicz @loriab @maxscheurer