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Commits on May 2, 2025

• ORCA: add CASSCF on beryllium atom for most program versions

  berquist

  committed
  4a8a1ec

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Commits on Mar 2, 2024

• Adding test for miniprint in ORCA

  

  jvalegre

  authored and

  berquist

  committed
  92cbec5

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Commits on Jan 11, 2020

• Add Orca 4.0 regression tests (#122)

  

  shivupa

  authored and

  berquist

  committed
  d8efd52

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Commits on Jul 18, 2019

• ORCA blank line or comment (#115)

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  felixplasser

  authored and

  berquist

  committed
  447d732

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Commits on May 4, 2019

• ORCA: linear C_infv molecules that didn't have vibfreqs parsed properly

  berquist

  committed
  52fbb82

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Commits on Nov 12, 2018

• ORCA: output that has malformed input section

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  berquist

  committed
  ebf2531

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Commits on Oct 13, 2018

• Add ORCA example with mocoeffs glued together (from cclib/cclib#629 courtesy of Felipe S. S. Schneider @dudektria)

  

  langner

  authored and

  berquist

  committed
  cdf8f7a

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Commits on Sep 18, 2018

• Adds Orca CASSCF optimization regression.

  

  jevandezande

  authored and

  berquist

  committed
  7ee66a8

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Commits on Apr 18, 2018

• Revert "Revert "Adds linear molecule test case for ORCA.""

  langner

  committed
  237cbf5

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Commits on Aug 28, 2017

• Revert "Adds linear molecule test case for ORCA."

  langner

  authored
  af4a862

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Commits on Aug 23, 2017

• Adds linear test case for ORCA.

  jevandezande

  committed
  e7c6659

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Commits on Aug 8, 2017

• Adds ORCA4.0 output with ECP and abnormal SCF values.

  jevandezande

  committed
  798a885

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Commits on May 11, 2017

• ORCA: no etsyms from TDDFT calculation

  berquist

  committed
  4aa5d88

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