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1. Commits on Feb 3, 2018

   • Merge pull request #904 from PeterKraus/functionals

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     dgasmith

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2. Commits on Feb 2, 2018

   • Removed duplicate dashparams. Minnesota functionals are with "-".

     

     pk

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   • Enabled pbe0-dh as test against ORCA passes.

     

     pk

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   • Tidied up Gaussian test cases:

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     pk

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   • Tightened checks for other functionals.

     

     pk

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   • Fixed PBE0-DH test

     

     pk

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   • Added tests for MN15 and MN15-L. Test for PBE0-DH fails.

     

     Peter Kraus

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3. Commits on Feb 1, 2018

   • Added tests for G09.D01 functionals: SOGGA, SOGGA11-X, M06-L, MN12-L.

     

     pk

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   • YAPF-ized.

     

     pk

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   • Merge pull request #906 from psi4/loriab-patch-1

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     robertodr

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4. Commits on Jan 31, 2018

   • Fixes wB97 & wB97X SAD occupations in dft1 test

     loriab

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5. Commits on Jan 29, 2018

   • Merge pull request #903 from andysim/hessfix

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     jturney

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   • Merge pull request #902 from ashutoshvt/minor

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     robertodr

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   • Revert "Modified libxc to be compiled from upstream"

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     Peter Kraus

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   • Tidied up for PR.

     

     kraus

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6. Commits on Jan 28, 2018

   • Check Hessian with permuted atom ordering

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   • Fix diagonal overlap second derivatives

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7. Commits on Jan 27, 2018

   • added the updated output.ref

     ashutoshvt

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   • added braces

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   • getting value at INF NM i.e. static polarizability in the test case

     ashutoshvt

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   • Inf nm when omega equal to zero ev

     ashutoshvt

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   • Merge pull request #896 from robertodr/fix-pcm

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     dgasmith

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8. Commits on Jan 26, 2018

   • Fix bizarre quotes formatting

     robertodr

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   • Give unique name to PCM block file and remove it when done

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   • Fix PCM kerfuffle with directories

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     robertodr

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   • Merge pull request #897 from dgasmith/vv10uks

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     jturney

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9. Commits on Jan 24, 2018

   • Merge branch 'master' into functionals.

     

     Peter Kraus

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   • Added some functionals

     

     Peter Kraus

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10. Commits on Jan 21, 2018

    • DFT: VV10 UKS needs more checks

      dgasmith

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    • DFT: Revamps dft1 test case, now tests meta functionals as well

      dgasmith

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    • DFT: Fixes meta-gga UKS functionals

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    • DFT: Adds in VV10 for UKS references

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    • DFT: VV10 computer now takes an input density

      dgasmith

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11. Commits on Jan 20, 2018

    • Merge pull request #894 from ashutoshvt/python_grad

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      dgasmith

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    • Merge pull request #895 from JonathonMisiewicz/findif

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      dgasmith

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