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on1.0.x

Commits on Jun 2, 2016
- properly #TEST the test cases
  loriab
  committed
  26ad7e5
Commits on Apr 20, 2016
- remove "set global" addressing bullet 3 of psi4/psi4#349
  loriab
  committed
  c991657
Commits on Apr 4, 2016
- Cleaned up CC printing and updated output.ref's
  dgasmith
  committed
  824f1e6
- Refreshed all tests/*/output.ref's for the Psi4 release. dft1, dft2, and docs-dft remain due to specific issues
  dgasmith
  committed
  0ce8b7d
Commits on Feb 5, 2016
- Wfn pass: Fixed up a few issues caused when moving to legacy_molecule
  dgasmith
  committed
  ac17b31
Commits on Jan 11, 2016
- Further trim down quicktests
  CDSherrill
  committed
  37baef0
Commits on Mar 6, 2015
- All Makefile.in, MakeVars.in and MakeRules.in removed. configure.ac and m4 removed. Bye bye autotools
  Roberto Di Remigio
  committed
  84f4fd1
Commits on Nov 3, 2014
- Save work on refactoring CMake infrastructure for tests
  Roberto Di Remigio
  committed
  30bcfc2
Commits on May 2, 2013
- Resolves conflicts
  jturney
  committed
  1aa1c07
Commits on Mar 8, 2013
- Renamed Psimod.reference_wavefunction to Psimod.wavefunction
  Anthony Coulter
  committed
  02a7678
Commits on Jan 31, 2012
- Adding cc3 test case.
  lothian
  committed
  2ec1640
Commits on Jan 23, 2012
Commits on Jan 17, 2012
- Added default memory explicitly to the test inputs.
  andysim
  committed
  8d9957b
- Added automatic clean function, and removed explicit clean() calls in the test inputs.
  andysim
  committed
  a51363f
Commits on Jan 15, 2012
- Added test cases cc24, cc25, and cc27 for RHF- and UHF-EOM-CCSD gradients.
  lothian
  committed
  43653a8
Commits on Jan 10, 2012
- Mods to inputs for cc1 and cc2. Adding cc3 (but it's not working yet).
  lothian
  committed
  bf26a50
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Commits on Jun 2, 2016

properly #TEST the test cases

Commits on Apr 20, 2016

remove "set global" addressing bullet 3 of psi4/psi4#349

Commits on Apr 4, 2016

Cleaned up CC printing and updated output.ref's

Refreshed all tests/*/output.ref's for the Psi4 release. dft1, dft2, and docs-dft remain due to specific issues

Commits on Feb 5, 2016

Wfn pass: Fixed up a few issues caused when moving to legacy_molecule

Commits on Jan 11, 2016

Further trim down quicktests

Commits on Mar 6, 2015

All Makefile.in, MakeVars.in and MakeRules.in removed. configure.ac and m4 removed. Bye bye autotools

Commits on Nov 3, 2014

Save work on refactoring CMake infrastructure for tests

Commits on May 2, 2013

Resolves conflicts

Commits on Mar 8, 2013

Renamed Psimod.reference_wavefunction to Psimod.wavefunction

Commits on Jan 31, 2012

Adding cc3 test case.

Commits on Jan 23, 2012

Merge branch 'master' of sirius.chem.vt.edu:psi4

Adding more CC test cases to PSI4. Large test case cc6 working, but I

Updated physical constants. Test suite updated accordingly, with otput.ref files provided for all tests. The samples directory has been updated, because a number of test inputs were cleaned up, a…

Commits on Jan 17, 2012

Added default memory explicitly to the test inputs.

Added automatic clean function, and removed explicit clean() calls in the test inputs.

Commits on Jan 15, 2012

Added test cases cc24, cc25, and cc27 for RHF- and UHF-EOM-CCSD gradients.

Commits on Jan 10, 2012

Mods to inputs for cc1 and cc2. Adding cc3 (but it's not working yet).

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Commits on Jun 2, 2016

Commits on Apr 20, 2016

Commits on Apr 4, 2016

Commits on Feb 5, 2016

Commits on Jan 11, 2016

Commits on Mar 6, 2015

Commits on Nov 3, 2014

Commits on May 2, 2013

Commits on Mar 8, 2013

Commits on Jan 31, 2012

Commits on Jan 23, 2012

Commits on Jan 17, 2012

Commits on Jan 15, 2012

Commits on Jan 10, 2012