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Commits on Jun 1, 2021

• Merge pull request #150 from berquist/1040-qchem-irc

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Commits on Nov 23, 2020

• Merge pull request #141 from srtlg/development-fix-qchem-tddft-issue-974

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Commits on Nov 20, 2020

• Revert "Revert " Added Turbomole example with raman.out""

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• Merge pull request #143 from cclib/revert-120-master

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• Revert " Added Turbomole example with raman.out"

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Commits on Nov 18, 2020

• Add one missing file to list and fix a typo

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• Merge pull request #120 from dkratzert/master

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Commits on Nov 4, 2020

• Revert "Revert "Adding outputfile corresponding to issue 962""

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• Merge pull request #139 from cclib/revert-138-Issue_962

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• Revert "Adding outputfile corresponding to issue 962"

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• Merge pull request #138 from shivupa/Issue_962

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Commits on Sep 24, 2020

• Merge pull request #136 from berquist/947-orca-constrained-opt

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Commits on Sep 22, 2020

• Merge pull request #135 from shivupa/bug937

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Commits on Jun 9, 2020

• Merge pull request #133 from shivupa/issue851

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Commits on May 7, 2020

• Gaussian: Adding logfile from issue cclib/cclib#756

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• MOPAC: adding file attached to issue cclib/cclib#763

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Commits on May 1, 2020

• Merge pull request #127 from berquist/qchem-bohr-atomcoords

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Commits on Mar 20, 2020

• [Psi4] Add Psi4-1.0 unit test logfiles as regressions

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Commits on Mar 11, 2020

• Merge pull request #125 from schneiderfelipe/master

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• Merge pull request #124 from aalexmmaldonado/long-input-orca

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Commits on Sep 7, 2019

• Merge pull request #116 from berquist/750-orca-pm3-geoopt

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• [Gaussian] Add output.txt from #754

  

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Commits on May 23, 2019

• Add regression file from cclib/cclib#740

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Commits on May 18, 2019

• ORCA: logfile donated in cclib/cclib#736

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Commits on May 10, 2019

• Psi: copy legacy Psi3 unit test from cclib/cclib repository

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Commits on May 8, 2019

• Add regression file from cclib/cclib#426

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Commits on May 6, 2019

• Merge pull request #109 from berquist/725-orca-input

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• Merge pull request #110 from berquist/426-linear-frequencies

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Commits on Mar 7, 2019

• Merge pull request #108 from schneiderfelipe/master

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Commits on Feb 13, 2019

• Merge pull request #106 from berquist/677-dalton-excitations

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Commits on Jan 14, 2019

• Merge pull request #105 from berquist/678-qchem-betamos

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Commits on Dec 25, 2018

• Molcas: test suite job with inconsistent atomcoords due to symmetry

  

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Commits on Nov 21, 2018

• Add killed Gaussian job from NIST CCCBDB

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Commits on Nov 20, 2018

• Rename m1b1 NIST file to be consistent with #99

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Commits on Nov 19, 2018

• Add Gaussian98 G3 job from NIST CCCBDB suite

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