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History for

onv1.1

Commits on May 17, 2017
- Updates the front README.
  loriab
  committed
  a2914dd
- Documents conda pkg reorg. Fixes docs build when nbsphinx not around. Docs feature for getting higher AM Libint conda packages.
  loriab
  committed
  7030192
Commits on May 13, 2017
- Slightly improves installer docs.
  loriab
  committed
  c3c96da
- Updates citation. Adjusts x2c example in psi4/psi4#662. Corrects basisset_ typo.
  loriab
  committed
  b1f9236
- Allows building plugins on Mac from conda distribution.
  loriab
  committed
  8ca4ec2
- Acknowledges that Psi4 works on Windows with WSL.
  loriab
  committed
  14c4d67
- Corrects a url and triggers CI.
  loriab
  committed
  da6a012
- Updates Libint 1.2.0 @ evaleev/libint <-- libint 1.1.6 @ psi4/libint
  loriab
  committed
  67f2448
Commits on May 1, 2017
- Applies GPL-2.0+ --> LGPL-3.0 to new files
  loriab
  committed
  95f447d
- Applies GPL-2.0+ --> LGPL-3.0 to doc/, tests/
  loriab
  committed
  1fbc702
Commits on Apr 30, 2017
- Modernize conda docs section.
  loriab
  committed
  8aee306
- Fixes broken properties_origin ["COM"] noticed by lazaroid
  loriab
  committed
  98ece53
- Start management section of docs.
  loriab
  committed
  b102f37
- PCM-CCSD in the PTE approximation (#683)
  
  robertodr
  authored and
  loriab
  committed
  29233a4
Commits on Apr 27, 2017
- Updates GitHub PR workflow images.
  
  loriab
  authored and
  mac-psinet
  committed
  6c220d9
- Fixes typo in GH remote add instructions that FAE noticed. Adds a git pull/push commands guide.
  
  loriab
  authored and
  mac-psinet
  committed
  ebefb80
Commits on Apr 4, 2017
Commits on Apr 3, 2017
- cc2_rhf_grad: uses run_ccenergy_gradient function in driver instead of select functions
  
  ashutoshvt
  authored and
  loriab
  committed
  187db2d
- cc2_rhf_grad: fixed redundancies in test_case, driver and upated docs
  
  ashutoshvt
  authored and
  loriab
  committed
  04500e4
- cc2-rhf grad: added test case and updated docs
  
  ashutoshvt
  authored and
  loriab
  committed
  6090f41
Commits on Mar 30, 2017
- New keywords for specifying dipole field
  andysim
  committed
  978ab07
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
  9e008aa
- Begone, foul unicode
  
  loriab
  authored and
  jturney
  committed
  3fc463f
Commits on Mar 23, 2017
- :Merge branch 'mrcc' of github.com:jturney/psi4 into mrcc
  jturney
  committed
  e5d42c7
- Fixes typo in mrcc.rst for Matric reference
  jturney
  committed
  f112cb0
Commits on Mar 22, 2017
- Merge branch 'master' into mrcc
  jturney
  authored
  7c7af50
- Tidies conda versioning file away. Fixes psi4/psi4#656, I hope. Docs plugins from conda.
  
  loriab
  authored and
  jturney
  committed
  4c3fd2f
- Add output to psiapi.ipynb and suppress running notebook at docs build time
  
  loriab
  authored and
  jturney
  committed
  0bdcf1b
Commits on Mar 20, 2017
- Updates MRCC and documentation
  jturney
  committed
  4a3a3da
- Updates MRCC documentation [ci skip]
  jturney
  committed
  b4ecc07
Commits on Mar 16, 2017
- Add notes on Cray compiling. Allow basis_helper to not set option.
  
  loriab
  authored and
  jturney
  committed
  978ef27
- Fix basis handling for basis {...} blocks, improve printing and naming and docs, address psi4/psi4#617 and psi4/psi4#43
  
  loriab
  authored and
  jturney
  committed
  e43f0d5
- Update freq.rst
  fevangelista
  authored
  57ac4dc

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Commits on May 17, 2017

Commits on May 13, 2017

Commits on May 1, 2017

Commits on Apr 30, 2017

Commits on Apr 27, 2017

Commits on Apr 4, 2017

Commits on Apr 3, 2017

Commits on Mar 30, 2017

Commits on Mar 24, 2017

Commits on Mar 23, 2017

Commits on Mar 22, 2017

Commits on Mar 20, 2017

Commits on Mar 16, 2017