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Lose * in ccdensity #2438

Merged
merged 1 commit into from
Feb 14, 2022
Merged

Lose * in ccdensity #2438

merged 1 commit into from
Feb 14, 2022

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JonathonMisiewicz
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@JonathonMisiewicz JonathonMisiewicz commented Feb 12, 2022 •
edited

Description

This PR replaces several int * types in ccdensity with Dimension or std::vector<int> objects as appropriate. In addition to eliminating manual memory management and making the code more readable, easy access to Dimension objects will allow for a subsequent PR to construct Matrix objects directly, replacing the current block_matrix representation of objects.

This is PR 2 in an ongoing series to make ccdensity compatible with the standard Matrix and Wavefunction machinery used elsewhere in Psi. Obligatory @lothian notification.

Checklist

  • cc tests still pass

Status

  • Ready for review
  • Ready for merge - to be explicit, Lori advised me not to merge until I had manually checked the cc tests, since those tests run by perl script

@JonathonMisiewicz JonathonMisiewicz added cc For all issues involving the CC module, ground-state energies to response properties. cleanup For issues where the goal is to make Psi4 a little cleaner. labels Feb 12, 2022
@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.6 milestone Feb 12, 2022
lothian
lothian approved these changes Feb 13, 2022
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Looks good. Thanks!

@JonathonMisiewicz JonathonMisiewicz merged commit a30fed0 into psi4:master Feb 14, 2022
@JonathonMisiewicz JonathonMisiewicz deleted the ccdensity_fix branch February 14, 2022 15:02
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
@JonathonMisiewicz @zachglick
Lose stars (psi4#2438)
832228f 
`int *` to `std::vector<int>` and `Dimension`
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@loriab loriab loriab approved these changes

@lothian lothian lothian approved these changes

@maxscheurer maxscheurer maxscheurer approved these changes

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cc For all issues involving the CC module, ground-state energies to response properties. cleanup For issues where the goal is to make Psi4 a little cleaner.
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@JonathonMisiewicz @loriab @lothian @maxscheurer