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History for

onv1.0

Commits on Jun 5, 2016
- reactivate d3m and d3mbj, fix test case, update docs
  loriab
  committed
  514d695
Commits on May 12, 2016
- pad installed includes by lib or bin
  loriab
  committed
  1921240
Commits on Apr 20, 2016
- Cleaned up unit handeling, should close #357
  dgasmith
  committed
  b5bbc46
Commits on Apr 19, 2016
- Updated headers to be consistent and 2015->2016.
  dgasmith
  committed
  3270154
Commits on Mar 4, 2016
- -D3 overhaul: consolidate code to qcdb, allow to work on passed-in Mols, add wpbe-d, add -d3m and -d3mbj variants for better short-range behavior, lovely new test case
  loriab
  committed
  456deaa
Commits on Jan 22, 2016
- correct psiconfig.h installation re psi4/psi4public#214 . modifications to installation dirs re psi4/psi4public#215
  loriab
  committed
  00aabba
Commits on Dec 2, 2015
- Purge lines-of-code count from CMake infrastructure
  robertodr
  committed
  c1002fd
Commits on Mar 7, 2015
- Merge branch 'master' of https://github.com/psi4/psi4
  loriab
  committed
  bd983ad
Commits on Mar 6, 2015
- cease installing module static libraries with make install
  loriab
  committed
  de7d566
- All Makefile.in, MakeVars.in and MakeRules.in removed. configure.ac and m4 removed. Bye bye autotools
  Roberto Di Remigio
  committed
  84f4fd1
Commits on Feb 20, 2015
- Creation of list of libraries to link psi4 executable against is now decentralized to subdirs
  Roberto Di Remigio
  committed
  947de4a
Commits on Nov 16, 2014
- Revert to explicit lists of sources.
  Roberto Di Remigio
  committed
  5b481d1
Commits on Nov 3, 2014
- Use globbing strategy in CMake to create leaf CMakeLists.txt
  Roberto Di Remigio
  committed
  7e665e1
Commits on Oct 27, 2014
- Change custom Boost build step
  Roberto Di Remigio
  committed
  61dd35e
Commits on Sep 3, 2014
- Added the InFile class I promised
  ryanmrichard
  committed
  973249a
Commits on Aug 11, 2014
- No more fprintfgit add srcgit add src
  ryanmrichard
  committed
  351781f
Commits on Jul 29, 2014
- printing is fixed
  ryanmrichard
  committed
  b5a47b6
Commits on Mar 31, 2014
- Isolate dftd3 interface to separate driver file
  loriab
  committed
  94821b4
Commits on May 1, 2013
- Adds GPL2 license info to PSI4
  jturney
  committed
  f0ddd8e
Commits on Apr 24, 2013
- Adds CMake target dependencies to libs
  jturney
  committed
  1c20db2
Commits on Apr 23, 2013
- Renamed some libraries to prevent name clashes. Many new CMake features. It almost links now, but there are still a couple of small problems with undefined references.
  andysim
  committed
  5517574
Commits on Oct 10, 2012
- What's going on?
  jturney
  committed
  ea2c2c2
- Interface between psi4 and Grimme's dftd3 program for -D3 energies and gradients.
  loriab
  committed
  d76af54
- Fix bug for DAS dispersion correction when system has dummy atoms.
  loriab
  committed
  fab72b9
Commits on Oct 9, 2012
- Modifies Makefiles to properly handle dependencies with make clean automatically
  jturney
  committed
  3a0cb1e
Commits on Jul 26, 2012
- fixed double-counting issue of -DAS2009, added -DAS2010 (needs further testing, but appears to be good to go)
  ccook91
  committed
  5b9add6
Commits on Jul 13, 2012
- made dummy C8 and Spherical types for Grimme dispersion, no more seg fault
  ccook91
  committed
  6d38acd
Commits on Jul 12, 2012
- C8's shouldn't conflict with Grimme-type dispersion
  ccook91
  committed
  2aa8f83
- Added Podeszwa/Salewicz dispersion correction for dlDF+D functional
  ccook91
  committed
  573c779
Commits on Jun 10, 2012
- Proper use of DESTDIR in makefiles.
  Jussi Lehtola
  committed
  5cddd67
Commits on Apr 24, 2012
- -D gradients seem to work again
  robparrish
  committed
  f07ace2
Commits on Apr 23, 2012
- Some work standardizing -D
  robparrish
  committed
  8592d95
Commits on Apr 19, 2012
- Working on wB97X-D, committing for Rob
  jturney
  committed
  cc7468c
Commits on Apr 3, 2012
- Alphabet soup with functionals
  robparrish
  committed
  3839d36
Commits on Mar 22, 2012
- More work on DFT
  robparrish
  committed
  39e38d6

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Commits on Jun 5, 2016

Commits on May 12, 2016

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Commits on Jan 22, 2016

Commits on Dec 2, 2015

Commits on Mar 7, 2015

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Commits on Feb 20, 2015

Commits on Nov 16, 2014

Commits on Nov 3, 2014

Commits on Oct 27, 2014

Commits on Sep 3, 2014

Commits on Aug 11, 2014

Commits on Jul 29, 2014

Commits on Mar 31, 2014

Commits on May 1, 2013

Commits on Apr 24, 2013

Commits on Apr 23, 2013

Commits on Oct 10, 2012

Commits on Oct 9, 2012

Commits on Jul 26, 2012

Commits on Jul 13, 2012

Commits on Jul 12, 2012

Commits on Jun 10, 2012

Commits on Apr 24, 2012

Commits on Apr 23, 2012

Commits on Apr 19, 2012

Commits on Apr 3, 2012

Commits on Mar 22, 2012