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Recent GitHub Commits


  • Sep 7, 2018 by robertodr
    [fd7fa9a] Merge pull request #1217 from psi4/loriab-patch-5

  • Sep 7, 2018 by loriab
    [2fc49f3] Merge pull request #1210 from andysim/fmtlibcubeprop

  • Sep 7, 2018 by andysim
    [543b393] Merge pull request #1222 from obrien951/fnocc_timer

  • Sep 7, 2018 by loriab
    [b8a446a] Merge pull request #1223 from loriab/clangf_headers

  • Sep 7, 2018 by loriab
    [9166180] Merge branch 'master' into fmtlibcubeprop

  • Sep 7, 2018 by loriab
    [0b8e988] Merge pull request #1232 from PeterKraus/DF_CCSD_alignment

  • Sep 7, 2018 by dgasmith
    [7d84e2c] Merge pull request #1231 from raimis/omp_misc

  • Sep 7, 2018 by dgasmith
    [d435331] Merge pull request #1191 from andysim/fmtpsimrcc

  • Sep 7, 2018 by dgasmith
    [2ffec4a] Merge pull request #1189 from andysim/fmtmcscf

  • Sep 7, 2018 by jturney
    [59fd0a4] Merge pull request #1219 from raimis/fix_civect

  • Sep 7, 2018 by jturney
    [0e586a6] Merge pull request #1201 from psi4/loriab-patch-2

  • Sep 7, 2018 by jturney
    [cb18022] Merge pull request #1166 from andysim/fmtgdma

  • Sep 7, 2018 by PeterKraus
    [1e960da] Adjusted spacing of DE column

  • Sep 6, 2018 by andysim
    [d70e562] Unformat eqn comment

  • Aug 29, 2018 by andysim
    [7e38392] fmt: clang-format the psimrcc module

  • Aug 29, 2018 by andysim
    [9fadc92] fmt: clang-format the mcscf module

  • Aug 24, 2018 by andysim
    [9d65ceb] fmt: clang-format GDMA interface

  • Sep 6, 2018 by loriab
    [8fc4766] Merge branch 'master' into fnocc_timer

  • Sep 6, 2018 by loriab
    [f7c1a59] Merge pull request #1130 from obrien951/SCF_exc_wfn

  • Sep 6, 2018 by dgasmith
    [2f23252] Merge pull request #1138 from PeterKraus/cubeprop_improvements_01

  • Sep 6, 2018 by dgasmith
    [ba459ab] Merge pull request #1158 from loriab/clangf_fnocc

  • Sep 6, 2018 by dgasmith
    [8cf39e7] Merge pull request #1186 from andysim/fmtlibqt

  • Sep 6, 2018 by dgasmith
    [0f90ac2] Merge pull request #1194 from andysim/fmtlibscfsolver

  • Sep 6, 2018 by raimis
    [0ce22d3] Change size_t to long in OpenMP loops of scfgrad

  • Sep 6, 2018 by raimis
    [93b044d] Conditional compilation of simd clause in libfunctional

  • Sep 6, 2018 by raimis
    [db4fd0e] Change size_t to long in OpenMP loops of detci

  • Sep 6, 2018 by PeterKraus
    [66711d7] Fix cubeprop test.

  • Sep 6, 2018 by PeterKraus
    [3702dc6] Renamed test to cubeprop-frontier.

  • Sep 6, 2018 by PeterKraus
    [26b34e6] Fixed CMakeLists for cubeprop-o3

  • Sep 6, 2018 by PeterKraus
    [5c2ac48] Merge branch 'cubeprop_improvements_01' of https://github.com/peterkraus/psi4 into cubeprop_improvements_01

  • Sep 6, 2018 by raimis
    [c950060] Update passing Windows tests

  • Sep 6, 2018 by PeterKraus
    [8f51ac5] Cubeprop ROHF tests.

  • Sep 6, 2018 by PeterKraus
    [4f49d53] Added RHF test for frontier orbitals and dual descriptor.

  • Sep 6, 2018 by PeterKraus
    [97f152f] Documentation fixes. Renamed LUMO to LVMO for open shell.

  • Sep 6, 2018 by PeterKraus
    [3ec890f] For SOMO, draw only alpha orbitals. Handle higher spins.