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CCSD Quadratic Response Function#75

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JoseMadriaga wants to merge 23 commits intoCrawfordGroup:mainCrawfordGroup/pycc:mainfrom JoseMadriaga:cc_sim_QRJoseMadriaga/pycc:cc_sim_QRCopy head branch name to clipboard

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Commits on Jan 15, 2024

• draft of CC quadratic response function (SHG and OR only)

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  381e43f

Commits on Jan 17, 2024

• draft of ccresponse simualtion code

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  c5931b5

Commits on Apr 8, 2024

• Added CPNO++ to local

  

  Jose Marc Madriaga

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  f06543e

• Merge branch 'main' of https://github.com/CrawfordGroup/pycc into CPNOpp

  Show description for baaef35
  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  baaef35

• Merge branch 'cc_sim_quadresponse' of https://github.com/JoseMadriaga/pycc into cc_sim_quadresponse

  Show description for 446becf
  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  446becf

Commits on Apr 9, 2024

• Simulation code of quadratic response function

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  2b3a61d

• cleaned up a bit

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  4f9fff9

Commits on Apr 11, 2024

• removed excess test cases

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  59c3dad

• added back test_036

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  5a5f731

• modified test_038

  

  Jose Marc Madriaga

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  6594d01

Commits on Apr 16, 2024

• added omega option to perturbation-aware density

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  1dbd58b

Commits on Apr 17, 2024

• Mac OS CI only

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  6f62e4a

Commits on Apr 18, 2024

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  bbec017

• playing around with setup and CI

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  8423540

• modifying CI

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  35b8858

Commits on Apr 19, 2024

• testing test_038 only

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  11fe7c3

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  f1763b9

• including python 3.8

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  e2f8194

Commits on Apr 20, 2024

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  52ba168

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  6f9a510

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  0249888

• testing test_038

  

  Jose Marc Madriaga

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  Jose Marc Madriaga

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  dc010e7

• testing test_038

  

  Jose Marc Madriaga

  authored and

  Jose Marc Madriaga

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  ba0cf3a