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Recent GitHub Commits


  • Oct 21, 2018 by hokru
    [45f2df2] forces core.print_out flushing and fixes #1284 (#1300)

  • Oct 21, 2018 by andysim
    [dc280b6] Fix #1298, full_hess_every taking hessians at the starting geometry. (#1299)

  • Oct 19, 2018 by JonathonMisiewicz
    [0a4386d] Merge pull request #1269 from robertodr/cc-wavefunction-3

  • Oct 18, 2018 by andysim
    [600ddca] Merge pull request #1294 from alenaizan/time

  • Oct 18, 2018 by loriab
    [ffe0c69] Merge pull request #1291 from zachglick/dft_grid_parallel_opt

  • Oct 16, 2018 by dgasmith
    [8d40e13] Update timer.cc

  • Oct 15, 2018 by dgasmith
    [a157207] Parallelized grid construction with OpenMP

  • Oct 12, 2018 by alenaizan
    [f687f49] patch for conda-builds (#1285)

  • Oct 10, 2018 by zachglick
    [cb34149] Merge pull request #1233 from dgasmith/grid_cache

  • Oct 4, 2018 by loriab
    [e20a281] Merge pull request #1278 from raimis/fix_py36

  • Oct 4, 2018 by robertodr
    [7b69f9c] Dft fixes (#1260)

  • Oct 3, 2018 by loriab
    [62937c1] Use Python 3.6 for Windows builds

  • Oct 1, 2018 by robertodr
    [90f8c16] ccenergy: apply some style fixes

  • Oct 1, 2018 by susilehtola
    [6d43493] Switch MSVC to LLVM compiler for Windows builds (#1264)

  • Oct 1, 2018 by andysim
    [c9be896] Merge pull request #1268 from robertodr/cc-wavefunction-2

  • Sep 30, 2018 by raimis
    [f05c9ed] Merge pull request #1237 from raimis/fix_pk

  • Sep 29, 2018 by robertodr
    [37c6abf] Records tag for v1.3a1

  • Sep 29, 2018 by raimis
    [fdfe778] v1.3a1

  • Sep 29, 2018 by andysim
    [ce75f81] Merge pull request #1213 from loriab/nist

  • Sep 29, 2018 by amjames
    [53e9dde] updates header guards from qcelemental

  • Sep 6, 2018 by dgasmith
    [0f7c857] tests: more codata2014 adjustements

  • Sep 5, 2018 by loriab
    [2e20f78] tests: fix up remainder for codata2014

  • Sep 4, 2018 by loriab
    [39b4165] tests: none-NRE changes for physconst update

  • Sep 4, 2018 by dgasmith
    [45f0477] tests: adjust NRE for physconst update

  • Sep 4, 2018 by loriab
    [575d0fb] docs: document physcont fixes, fix docs build for staged prefix

  • Sep 3, 2018 by loriab
    [7e06ac9] update masses and physconst to CODATA 2014

  • Sep 28, 2018 by loriab
    [b8d5ce8] Lowercase tags for timers

  • Sep 27, 2018 by loriab
    [90d5a30] Use timer_on/timer_off in ccresponse

  • Sep 27, 2018 by loriab
    [5cf1c54] Use timer_on/timer_off in cctriples

  • Sep 27, 2018 by loriab
    [4ff0cb9] Use timer_on/timer_off in cclambda

  • Sep 27, 2018 by loriab
    [d3f3ba2] Use timer_on/timer_off in cceom

  • Sep 27, 2018 by robertodr
    [10e4943] Use timer_on/timer_off in cchbar

  • Sep 27, 2018 by robertodr
    [7505dc2] Use timer_on/timer_off in ccdensity

  • Sep 27, 2018 by robertodr
    [57e3c42] Use timer_on/timer_off in ccenergy

  • Sep 27, 2018 by robertodr
    [7e5e4a0] Remove void from argument lists