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Commits on Feb 3, 2018
- Merge pull request #904 from PeterKraus/functionals
  dgasmith
  authored
  d74df95
Commits on Feb 2, 2018
- Tidied up Gaussian test cases:
  pk
  committed
  dc39cdd
- Tightened checks for other functionals.
  pk
  committed
  ba84b0a
- Fixed PBE0-DH test
  pk
  committed
  b6acb96
- Added tests for MN15 and MN15-L. Test for PBE0-DH fails.
  Peter Kraus
  committed
  cba97ce
Commits on Feb 1, 2018
- Added tests for G09.D01 functionals: SOGGA, SOGGA11-X, M06-L, MN12-L.
  pk
  committed
  d95ffac
Commits on Jan 31, 2018
- Fixes wB97 & wB97X SAD occupations in dft1 test
  loriab
  authored
  e86a629
Commits on Jan 29, 2018
- Merge pull request #903 from andysim/hessfix
  jturney
  authored
  d7d117e
Commits on Jan 28, 2018
- Check Hessian with permuted atom ordering
  andysim
  committed
  6c0de4c
Commits on Jan 27, 2018
- added the updated output.ref
  ashutoshvt
  committed
  214a797
- getting value at INF NM i.e. static polarizability in the test case
  ashutoshvt
  committed
  710ecd7
Commits on Jan 21, 2018
- DFT: Revamps dft1 test case, now tests meta functionals as well
  dgasmith
  committed
  5843412
Commits on Jan 18, 2018
- removed redundant code in rhf hessian
  ashutoshvt
  committed
  d592794
Commits on Jan 17, 2018
- Merge pull request #877 from hokru/more_functionals
  dgasmith
  authored
  43b5ac2
- fixed issues suggested by lori
  ashutoshvt
  committed
  9278ee2
- removing output file resets from tests
  hokru
  committed
  da15491
- made changes to tests suggested in psi4numpy pull reuqest
  ashutoshvt
  committed
  b3c4612
Commits on Jan 16, 2018
Commits on Jan 15, 2018
- various dft reference outputs; file formatting
  hokru
  committed
  7ab954f
Commits on Jan 12, 2018
- non-ascii character; cmake details for tests
  hokru
  committed
  a1c2ce4
- adding gga&hyb reference outputs
  hokru
  committed
  b98ed5c
Commits on Dec 27, 2017
- cleaning
  hokru
  committed
  2c1119a
Commits on Dec 23, 2017
- Merge pull request #865 from loriab/snsmp2build
  loriab
  authored
  837e345
- PLUG: snsmp2 tested now as conda pkg
  loriab
  committed
  a2e2d72
Commits on Dec 22, 2017
- only some hybrids tests missing now
  hokru
  committed
  6edad5c
Commits on Dec 21, 2017
- initial test suites for custom DFT functionals: GGA, MGGA, Hybrids)
  hokru
  committed
  45fd037
- custom double-hybrid test suite: dft-custom-dhdf
  hokru
  committed
  1cb45c9
Commits on Dec 20, 2017
Commits on Dec 19, 2017
- DFT: Screws down tols on VV10 component test
  dgasmith
  committed
  704b6e4
- DFT: Fix VV10 timer error and quickens test
  dgasmith
  committed
  c63c589
Commits on Dec 18, 2017
- CI: how can you be silently failing to add to procedures, snsmp2?
  loriab
  committed
  8407296

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Commits on Feb 3, 2018

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Commits on Jan 31, 2018

Commits on Jan 29, 2018

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Commits on Jan 21, 2018

Commits on Jan 18, 2018

Commits on Jan 17, 2018

Commits on Jan 16, 2018

Commits on Jan 15, 2018

Commits on Jan 12, 2018

Commits on Dec 27, 2017

Commits on Dec 23, 2017

Commits on Dec 22, 2017

Commits on Dec 21, 2017

Commits on Dec 20, 2017

Commits on Dec 19, 2017

Commits on Dec 18, 2017