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Recent GitHub Commits


  • Nov 3, 2018 by robertodr
    [69cdc87] Replace calls to deprecated LAPACK subroutines (#1314)

  • Nov 2, 2018 by andysim
    [8e5d7bf] Merge pull request #1324 from robertodr/modernize-use-noexcept

  • Nov 2, 2018 by loriab
    [217d7d7] Fix findif freq file cleaning. Remove gcp scratch directory. (#1326)

  • Nov 2, 2018 by loriab
    [56b8841] Merge pull request #1321 from janisozaur/is-none

  • Nov 1, 2018 by robertodr
    [bfc839d] Findif Metadata (#1289)

  • Nov 1, 2018 by jturney
    [abfc5e1] use conda qcel in CI (#1315)

  • Oct 31, 2018 by JonathonMisiewicz
    [ca51fe6] Merge pull request #1322 from robertodr/modernize-use-bool-literals

  • Oct 31, 2018 by andysim
    [20563da] Merge pull request #1323 from robertodr/modernize-use-auto

  • Oct 31, 2018 by loriab
    [5cbd974] clang-tidy apply modernize-use-noexcept fixes

  • Oct 31, 2018 by amjames
    [470c5dc] clang-tidy apply modernize-use-auto fixes

  • Oct 30, 2018 by dgasmith
    [6c322d0] clang-tidy apply modernize-use-bool-literals fixes

  • Oct 30, 2018 by dgasmith
    [9a8feec] Compare to `None` using identity `is` operator

  • Oct 30, 2018 by robertodr
    [b39c597] Rework of CBS to use dictionaries (#1235)

  • Oct 30, 2018 by robertodr
    [5b4f6ea] Merge pull request #1317 from robertodr/modernize-redundant-void-arg

  • Oct 30, 2018 by robertodr
    [6b5dff0] Merge pull request #1318 from robertodr/modernize-deprecated-headers

  • Oct 30, 2018 by janisozaur
    [a52028b] clang-tidy apply modernize-deprecated-headers fixes

  • Oct 30, 2018 by PeterKraus
    [2bae00c] clang-tidy apply modernize-redundant-void-arg fixes

  • Oct 29, 2018 by andysim
    [258f326] Merge pull request #1313 from robertodr/modernize-use-nullptr

  • Oct 29, 2018 by andysim
    [778bc70] Merge pull request #1312 from robertodr/use-clang-tidy

  • Oct 26, 2018 by amjames
    [8cb0765] Merge pull request #1151 from loriab/backports_aug2018

  • Oct 26, 2018 by robertodr
    [ccf121c] disp: rebase fixes

  • Oct 26, 2018 by robertodr
    [4e9d75a] Wavefunction constructor from reference (#1277)

  • Oct 25, 2018 by andysim
    [da8c3de] Merge pull request #1267 from robertodr/cc-wavefunction-1

  • Oct 25, 2018 by dgasmith
    [a43e8e6] Merge pull request #1310 from JonathonMisiewicz/1309_fix

  • Oct 25, 2018 by andysim
    [e36c560] Apply clang-tidy fixes for modernize-use-nullptr

  • Oct 25, 2018 by loriab
    [b1216c1] Export compile commands for psi4-core

  • Oct 25, 2018 by robertodr
    [73cb172] add coordinate data to codemeta.json to service map (#1305)

  • Oct 15, 2018 by andysim
    [9fbe9f6] disp: expand dispersion citation comments and docs

  • Oct 4, 2018 by loriab
    [7015938] dft: consequences to renaming all the dft files

  • Oct 4, 2018 by loriab
    [1af3178] dft: rename files so they're not all dict_*

  • Oct 4, 2018 by robertodr
    [fde5917] disp: propagate dispersion citations

  • Oct 3, 2018 by robertodr
    [60da95c] disp: allow dispersion in user-defined dict fctls

  • Sep 4, 2018 by loriab
    [349efcc] vib: add example of getting vib/thermo info

  • Aug 27, 2018 by andysim
    [d158d13] disp: patch up some dispersion docs

  • Aug 24, 2018 by loriab
    [3e3d894] disp: mods to dict_builder and some dft definitions