All pull requests

Pull requests

• Refactoring Excited BE code

  #291·aalexiu opened Oct 5, 2026·

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• Faster ERI

  #290·mcocdawc opened Oct 4, 2026Contributor·

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• [WIP] Incorporate PySCF CCSDT and Q

  enhancement
  #289·mscho527 opened Sep 2, 2026Member·4 tasks·

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• Fix variable assignment mypy error localization

  #287·cariluo opened Aug 27, 2026Contributor·3 tasks done·

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  1

  4

• Add full iterative UBE for common_bath

  #284·lnorthcote opened Aug 18, 2026·

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• Common alpha/beta SVD bath implementation

  #280·lnorthcote opened Aug 11, 2026·

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• refactor ret_vec

  #278·cariluo opened Aug 5, 2026Contributor·

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  12

  

• Add dispersion correction to force embedding fragment energy

  #276·cariluo opened Aug 4, 2026Contributor·

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• Sparse DF for PBC

  #260·mscho527 opened Mar 12, 2026Member·3 of 7 tasks·

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• Averaged excited state EOM-IP-BE

  #256·aalexiu opened Jan 22, 2026·

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• Print energy whenever evaluated

  #254·lweisburn opened Dec 9, 2025Contributor·

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• Efficient CNOs

  #238·lweisburn opened Oct 21, 2025Contributor·

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• Updating fragment SCF routine

  #237·lweisburn opened Oct 21, 2025Contributor·

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• Manipulate chem pot

  #223·mcocdawc opened Oct 1, 2025Contributor·

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  1

• Adding CNOs to QuEmb

  #217·lweisburn opened Aug 22, 2025Contributor·

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  1

• Fix: maintain consistency for HF reference (w/ or w/o BE potential)

  high priority
  #201·mscho527 opened Aug 12, 2025Member·

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  1

  

• Improve doc

  #181·mcocdawc opened Jul 15, 2025Contributor·

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• UBE update

  #166·lweisburn opened May 14, 2025Contributor·

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  18

• Modifying RDM full basis function

  #155·lweisburn opened Apr 23, 2025Contributor·

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• Build excited state solver

  #149·bhanscam opened Apr 15, 2025Contributor·

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• Clean up and fix periodic IAO code

  #125·lweisburn opened Mar 13, 2025Contributor·

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• Fixes for DMRG test suite and related bugs.

  #96·ShaunWeatherly opened Jan 22, 2025Contributor·

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  85