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MolSym support added#22

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nlk36701 wants to merge 12 commits intoCCQC:MitchSandboxCCQC/ConcordantModes:MitchSandboxfrom nlk36701:MitchSandboxnlk36701/ConcordantModes:MitchSandboxCopy head branch name to clipboard

Commits

Commits on Oct 20, 2022

• Regex cleanup

  

  Nate Kitzmiller

  committed
  6eac2eb

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Commits on Apr 5, 2023

• merge

  

  Nate Kitzmiller

  committed
  0e3f5ee

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Commits on Aug 10, 2023

• Changes for benchmarking

  

  Nate Kitzmiller

  committed
  bf5368d

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• Changes for benchmarking

  

  Nate Kitzmiller

  committed
  d425d38

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Commits on Dec 21, 2024

• pull before symm merge

  

  Nate Kitzmiller

  committed
  46aa17e

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• redefine eigs in cma.py

  

  Nate Kitzmiller

  committed
  92eea03

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Commits on Dec 28, 2024

• State of code where symmetry has been incorporated into init hessian

  

  Nate Kitzmiller

  committed
  601b564

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Commits on Dec 31, 2024

• Added MolSym support

  

  Nate Kitzmiller

  committed
  974f379

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• Cleaned up reap

  

  Nate Kitzmiller

  committed
  207d926

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Commits on Mar 6, 2025

• Cleanup before merge

  

  Nate Kitzmiller

  committed
  34371cc

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• further cleanup

  

  Nate Kitzmiller

  committed
  54502e3

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Commits on Mar 7, 2025

• Added +/- displacement symm exploitation

  

  Nate Kitzmiller

  committed
  1098a1e

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