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Commits on Jul 4, 2016

• reduce sapt6 test for travis's sake. few more docs.

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• fix test case and give travis another chance

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Commits on Jul 3, 2016

• update sapt test for new psivars. samples, too

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• i defy misbehaving sapt psivars to get past this tests

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Commits on Jun 28, 2016

• add test descriptions so they get indexed in docs

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• change dmrg test keywords. add natural-orbital test.

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Commits on Jun 24, 2016

• make docs build work again

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Commits on Jun 18, 2016

• notify when samples test case can't be expected to work

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Commits on Jun 17, 2016

• Merge pull request #406 from edeprince3/labsandbox

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• Deriv: Removed the 'binary' call of deriv and switched to the library call

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Commits on Jun 16, 2016

• NumPy tweaks, allows access to a view through the .np attribute

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• CI and MCSCF now raise an error if not converged, closes #394

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Commits on Jun 8, 2016

• SAD: Now always uses SAD-FIT as the auxiliary basis (a truncated Weigend-fit basis)

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• SCF Guess: RHF -> SAD, ROHF/UHF -> GWH by default

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• SCF Guess: RHF -> SAD, ROHF/UHF -> GWH by default

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• SAD: Added fractional occupations

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Commits on Jun 5, 2016

• reactivate d3m and d3mbj, fix test case, update docs

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• Merge branch 'master' into dmrg_v17

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Commits on Jun 2, 2016

• properly #TEST the test cases

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Commits on May 27, 2016

• PK rewrite: Fixes OMP error and adds non-symmetric density test cases.

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Commits on May 25, 2016

• Minor typo fix.

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Commits on May 24, 2016

• Updated ChemPS2 to v1.7

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Commits on May 12, 2016

• add extra check to pywrap-all. update samples.

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Commits on May 11, 2016

• NumPy: Adds ability to convert dense numpy arrays to dense matrices by dropping zero elements

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• NumPy: Adds ability to convert irreped psi4 objects to dense arrays

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• NumPy: from_array and to_array interfaces for Matrix and Vector objects

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• Extends molden wrapper to support natural orbitals from CI Wavefunctions

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Commits on May 9, 2016

• CBS Wrapper: Enables a single delta correction for string based input

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Commits on May 5, 2016

• CIWave: Removed deprecated options

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Commits on May 4, 2016

• Cleaned incorrect CBS printing

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• Lowered quicktest angular momentum requirements, patched up pywrap-opt-sowreap runner

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• Merged changes from upstream/master

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• CBS Wrapper: pywrap-opt-sowreap works if you run it by hand, script needs tweaking. Deprecating from shorttest for now

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• CBS Wrapper: Fixed up cbs-xtpl-func test case with arbitrary function dertype logic

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Commits on Apr 29, 2016

• a nice test case we should persuade to work

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