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Recent GitHub Commits


  • May 23, 2018 by edeprince3
    [0e159c1] export boys localizer for plugins (#1026)

  • May 23, 2018 by andysim
    [fa171dc] Merge pull request #1028 from tyzhang1993/Expose_Slice

  • May 22, 2018 by dgasmith
    [4099e1a] Added PSI_API flag for class Slice.

  • May 18, 2018 by tyzhang1993
    [b0f5b75] Records tag for v1.2rc2

  • May 18, 2018 by loriab
    [a44735d] v1.2rc2

  • May 17, 2018 by loriab
    [4ee26f0] Merge pull request #1023 from dgasmith/jk_logic

  • May 17, 2018 by jturney
    [88ed43c] JK: Two more SCF_TYPE issues squished

  • May 17, 2018 by dgasmith
    [3c42eba] JK: More SCF_TYPE to global logic

  • May 15, 2018 by dgasmith
    [78b6b62] JK: Ensures that SCF_TYPE is correctly added to optstash

  • May 15, 2018 by dgasmith
    [fe7bfb6] JK: Fixes more SCF_TYPE DF logic

  • May 15, 2018 by dgasmith
    [eec11b4] Proc: Moves SCF_TYPE to global namespaced getter and putters

  • May 15, 2018 by dgasmith
    [f9e2a49] -D: Adds dlDF gradient throw

  • May 15, 2018 by dgasmith
    [67a1849] JK: Disk DF logic chooser for post-scf methods

  • May 15, 2018 by dgasmith
    [612eec4] OptState: More flexible and can add options on the fly

  • May 15, 2018 by dgasmith
    [3710e17] JK: More verbose JK backend validation error messages

  • May 15, 2018 by dgasmith
    [1707b5b] JK: Fixes mem/df jk for exact integral post-scf

  • May 15, 2018 by dgasmith
    [9994682] Merge pull request #1020 from loriab/threadmisc

  • May 15, 2018 by robertodr
    [6143c62] Merge pull request #1022 from loriab/samplesupdate

  • May 14, 2018 by dgasmith
    [4444a45] Relax compare_ checks on json schema tests

  • May 14, 2018 by loriab
    [80ead65] updates samples/

  • May 14, 2018 by loriab
    [364f2f7] update psifiles.py, add comments to tests

  • May 14, 2018 by loriab
    [63621d9] Change SAPT mem to long int, fixes psi4/psi4#1018

  • May 14, 2018 by loriab
    [0804f0f] Moves SCF_TYPE to globals, closes psi4/psi4#1019

  • May 14, 2018 by loriab
    [5b23c2f] Merge pull request #1017 from loriab/threadmisc

  • May 13, 2018 by dgasmith
    [4345b46] AddOns: shift loriab/libxc --> psi4/libxc, note a couple build commits

  • May 13, 2018 by loriab
    [bdc4cf4] Fix up some license headers

  • May 13, 2018 by loriab
    [6f842ba] Mol: output ghosts from E(Gh) --> Gh(E)

  • May 13, 2018 by loriab
    [ffac8b0] Adds a script to probe threading

  • May 13, 2018 by loriab
    [79d6e57] CMake: patches OMP detection, https://github.com/coderefinery/autocmake/issues/247

  • May 12, 2018 by loriab
    [648ea06] Merge pull request #1012 from dgasmith/jkfix

  • May 12, 2018 by loriab
    [918a43a] Update scf.rst

  • May 12, 2018 by andysim
    [a5d54b6] DOC: a few more gotchas (#1015)

  • May 11, 2018 by loriab
    [133a21b] Merge pull request #1014 from JonathonMisiewicz/no_df_spec

  • May 11, 2018 by andysim
    [c351c62] Building a wavefunction Py-side now auto-sets DF basis to zero.

  • May 10, 2018 by loriab
    [015c10a] Merge pull request #1011 from psi4/qc_json