Code

Parallel DD Algorithm#6

Code

Merged

lothian merged 5 commits intomainCrawfordGroup/MagPy:mainfrom parallelCrawfordGroup/MagPy:parallelCopy head branch name to clipboardMay 10, 2024

+1,952-215

Commits

Commits on May 9, 2024

• Working on threaded AAT DD

  lothian

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• Added MP2 Hessians and APTs with tests. Placeholder for VCD tests.

  lothian

  committed
  5fef134

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• Parallel algorithm for DD terms seems to be working.

  lothian

  committed
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• Moving parallel functionality into aat.py.

  lothian

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Commits on May 10, 2024

• Moved parallel code into AAT object and aat.py. Added test cases that use full set of cores available.

  lothian

  committed
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