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Commits on Aug 17, 2018

• Merge pull request #1122 from loriab/p4c4_aug2018

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Commits on Aug 8, 2018

• Remove warning due to PKWorker class

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Commits on Apr 13, 2018

• Change to praga.h

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Commits on Apr 12, 2018

• Merge branch 'v2rdm_psiapi' into forte_pb222

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• Add PSI_API to DGEMM on the cc side instead of h

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• Removed one more redundant instance

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• Remove unnecessary PSI_API and change order in function calls

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• Minimal changes to Psi4 to make it compatible with Forte and pybind11 2.2.2

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Commits on Apr 10, 2018

• PSI_APIed options, DPD, and PsiOutStream

  

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Commits on Nov 21, 2017

• Mention new feature in manual.

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• Use numpy in tests. Add fixes from #822.

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Commits on Nov 20, 2017

• Fix python function that compares cube files

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• Add adaptive isocontour range for densities.

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Commits on Nov 19, 2017

• CUBEPROP: Compute isocountour range that captures a given fraction of MO density.

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Commits on Oct 25, 2017

• Update dft.rst

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Commits on Jun 30, 2017

• Add YAPF file.

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• Template clang-format style.

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Commits on Jun 16, 2017

• Add throw if SOMCSCF object is not allocated.

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Commits on Jun 15, 2017

• Semicanonicalize only when doing CASSCF. Fix test case.

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Commits on Jun 14, 2017

• CASSCF: semicanonicalize docc and virt blocks of Favg.

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Commits on Jun 7, 2017

• Get rid of print info.

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Commits on Jun 2, 2017

• Reuse already defined Slice.

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• Minor cleanup.

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• Remove include command.

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• Remove class View.

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Commits on Jun 1, 2017

• Document the Slice class.

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• Remove the View class.

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• Fix bug.

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• Finish conversion of ROHF code. Tests implicit Slice constructor.

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• Add checks to Slices and get/set_block functions for out of bound errors.

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• Remove view from OrbitalSpace and Writer.

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• Remove uses of View.

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• Update export_plugins.cc

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• Comments and code cleanup.

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Commits on May 31, 2017

• Move semicanonicalization function to C++ and add Matrix/Vector slices.

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