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Commits on May 17, 2017

• Updates the front README.

  loriab

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• Documents conda pkg reorg. Fixes docs build when nbsphinx not around. Docs feature for getting higher AM Libint conda packages.

  loriab

  committed
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Commits on May 13, 2017

• Slightly improves installer docs.

  loriab

  committed
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• Updates citation. Adjusts x2c example in psi4/psi4#662. Corrects basisset_ typo.

  loriab

  committed
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• Allows building plugins on Mac from conda distribution.

  loriab

  committed
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• Acknowledges that Psi4 works on Windows with WSL.

  loriab

  committed
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• Corrects a url and triggers CI.

  loriab

  committed
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• Updates Libint 1.2.0 @ evaleev/libint <-- libint 1.1.6 @ psi4/libint

  loriab

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Commits on May 1, 2017

• Applies GPL-2.0+ --> LGPL-3.0 to new files

  loriab

  committed
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• Applies GPL-2.0+ --> LGPL-3.0 to doc/, tests/

  loriab

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Commits on Apr 30, 2017

• Modernize conda docs section.

  loriab

  committed
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• Fixes broken properties_origin ["COM"] noticed by lazaroid

  loriab

  committed
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• Start management section of docs.

  loriab

  committed
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• PCM-CCSD in the PTE approximation (#683)

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  robertodr

  authored and

  loriab

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Commits on Apr 27, 2017

• Updates GitHub PR workflow images.

  

  loriab

  authored and

  mac-psinet

  committed
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• Fixes typo in GH remote add instructions that FAE noticed. Adds a git pull/push commands guide.

  

  loriab

  authored and

  mac-psinet

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Commits on Apr 4, 2017

• Adds minao Br. Update CheMPS2 upstream. Remove Fort checking. Whitelist Cfour parallelism variable.

  loriab

  committed
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• Switches simint default to avx and documents choices.

  loriab

  committed
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• docs for addons and simint

  loriab

  committed
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Commits on Apr 3, 2017

• cc2_rhf_grad: uses run_ccenergy_gradient function in driver instead of select functions

  

  ashutoshvt

  authored and

  loriab

  committed
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• cc2_rhf_grad: fixed redundancies in test_case, driver and upated docs

  

  ashutoshvt

  authored and

  loriab

  committed
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• cc2-rhf grad: added test case and updated docs

  

  ashutoshvt

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  loriab

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Commits on Mar 30, 2017

• New keywords for specifying dipole field

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  andysim

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Commits on Mar 24, 2017

• Squashes Intel 2016.0.1 (fixes psi4/psi4#660). Permits conda build by Py3. Fixes bad curl commands.

  

  loriab

  authored and

  jturney

  committed
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• Begone, foul unicode

  

  loriab

  authored and

  jturney

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Commits on Mar 23, 2017

• :Merge branch 'mrcc' of github.com:jturney/psi4 into mrcc

  jturney

  committed
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• Fixes typo in mrcc.rst for Matric reference

  jturney

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Commits on Mar 22, 2017

• Merge branch 'master' into mrcc

  jturney

  authored
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• Tidies conda versioning file away. Fixes psi4/psi4#656, I hope. Docs plugins from conda.

  

  loriab

  authored and

  jturney

  committed
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• Add output to psiapi.ipynb and suppress running notebook at docs build time

  

  loriab

  authored and

  jturney

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Commits on Mar 20, 2017

• Updates MRCC and documentation

  jturney

  committed
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• Updates MRCC documentation [ci skip]

  jturney

  committed
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Commits on Mar 16, 2017

• Add notes on Cray compiling. Allow basis_helper to not set option.

  

  loriab

  authored and

  jturney

  committed
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• Fix basis handling for basis {...} blocks, improve printing and naming and docs, address psi4/psi4#617 and psi4/psi4#43

  

  loriab

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  jturney

  committed
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• Update freq.rst

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  fevangelista

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