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Commits on Apr 20, 2016

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

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  loriab

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Commits on Apr 4, 2016

• Cleaned up CC printing and updated output.ref's

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  dgasmith

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

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  dgasmith

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Commits on Mar 6, 2015

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

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  Roberto Di Remigio

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Commits on Nov 4, 2014

• Fix testing command in add_regression_test; exclude cc5 and extend timeout

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  Roberto Di Remigio

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Commits on Nov 3, 2014

• Save work on refactoring CMake infrastructure for tests

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  Roberto Di Remigio

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Commits on May 3, 2013

• Removes all references to PsiMod and replaces them with psi4

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  jturney

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Commits on Jan 23, 2012

• 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…

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  andysim

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Commits on Jan 17, 2012

• Added default memory explicitly to the test inputs.

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  andysim

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

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  andysim

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Commits on Jan 13, 2012

• Standardize CONV options. psimrcc-sp1 test case may be unstable. Specifics below.

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  loriab

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Commits on Jan 9, 2012

• remove wfn and dertype from test case inputs; other minor changes

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  tparker36

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Commits on Nov 8, 2011

• More modifications of SCF ENERGY

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  loriab

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Commits on Oct 17, 2011

• Fix cc test cases after variable name updates

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  loriab

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Commits on Mar 7, 2011

• Changed the input parser for molecule... is now units then specification

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  shrymc

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Commits on Feb 18, 2011

• Updated the samples from the test suite.

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  andysim

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Commits on Feb 16, 2011

• Fixed liboptions to work with the new parser and updated test cases/Python procedures accordingly. Fixed a bug in molecule that caused Valgrind to complain.

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  andysim

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Commits on Feb 6, 2011

• Added extra symmetry tests in mints1. Fixed a typo that prevented D2 symmetry being detected.

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  andysim

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Commits on Feb 4, 2011

• Fixed a typo

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  kennedy

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• Added the lines to run the job and compare values

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  kennedy

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Commits on Feb 3, 2011

• I hope it worked this time? Added cc5 but converges to a solution on the order of -1x10^9 hartrees

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  kennedy

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