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Commits

History for

onv1.0

Commits on May 24, 2016
- Improved Psi4 timer, detailed time for PK integrals.
  jgonthier
  committed
  9c3b398
Commits on May 13, 2016
- PSI4 --> Psi4, last of the non-comments
  loriab
  committed
  2ca07f5
Commits on May 12, 2016
- pad installed includes by lib or bin
  loriab
  committed
  1921240
Commits on Apr 19, 2016
- Managed line endings
  dgasmith
  committed
  faefa99
- Updated headers to be consistent and 2015->2016.
  dgasmith
  committed
  d549126
Commits on Feb 4, 2016
- Wfn pass: Removed deprecated MintsHelper constructors
  dgasmith
  committed
  5861fc0
- Wfn pass: More cleanup of enviroment.molecule, close to deprecating the whole global
  dgasmith
  committed
  0c8ca23
Commits on Jan 25, 2016
- Wfn pass: Removed chkpt from Psi4 and moved it to attic
  dgasmith
  committed
  22bfcd5
- Wfn pass: Cleaning up some of the CC objects
  dgasmith
  committed
  d26421e
- Wfn pass: Generic cleanup of mrcc, fnocc, etc
  dgasmith
  committed
  31abb7a
- Wfn pass: Merged master into wavefunction_pass
  dgasmith
  committed
  fb3edbd
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 Jan 18, 2016
- Wfn pass: Removed the majority of the remaining environment calls from lib and bin
  dgasmith
  committed
  8279b5d
Commits on Jan 8, 2016
- Clarify some things in ras_set3() documentation
  CDSherrill
  committed
  d191190
Commits on Dec 16, 2015
- Merged the CIWave branch into master. DETCI and MCSCF both recieved very large updates and improvements.
  dgasmith
  committed
  4d6c517
Commits on Dec 2, 2015
- Purge lines-of-code count from CMake infrastructure
  robertodr
  committed
  c1002fd
Commits on Nov 3, 2015
- DETCI: Missed a slaterdetset file for typedef struct trickery
  dgasmith
  committed
  7abdb57
Commits on Sep 18, 2015
- Schmidt orthoganilaztion should be more stable
  ryanmrichard
  committed
  8341eca
Commits on Jun 3, 2015
- Rename variables from frozen to dropped, allowing frozen to take on its MCSCF meaning throughout the code
  
  CDSherrill
  authored and
  dgasmith
  committed
  398adb9
- Fix defaults in ras_set3() and failing test case casscf-fzc-sp
  
  CDSherrill
  authored and
  dgasmith
  committed
  bc50f88
- ras_set3() function to set orbital subspaces for CI; more clearly distinguish between frozen vs restricted
  
  CDSherrill
  authored and
  dgasmith
  committed
  df3e3a1
Commits on Apr 10, 2015
- Fixing ccdensity for OEprops with frozen-virtuals and UHF refs.
  lothian
  committed
  fe11a38
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 25, 2014
- Merge branch 'efp2'
  loriab
  committed
  f411126
Commits on Nov 16, 2014
- Revert to explicit lists of sources.
  Roberto Di Remigio
  committed
  5b481d1
Commits on Nov 5, 2014
- Use CMake-generated mangling macros for interface to Fortran routines
  Roberto Di Remigio
  committed
  c801937
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 27, 2014
- Error: DETCI changes the wavefunction frzcpi attribute.
  dgasmith
  committed
  b91cc56
- Missed two files to upload
  dgasmith
  committed
  8bda8ee
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

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Commits on May 24, 2016

Commits on May 13, 2016

Commits on May 12, 2016

Commits on Apr 19, 2016

Commits on Feb 4, 2016

Commits on Jan 25, 2016

Commits on Jan 22, 2016

Commits on Jan 18, 2016

Commits on Jan 8, 2016

Commits on Dec 16, 2015

Commits on Dec 2, 2015

Commits on Nov 3, 2015

Commits on Sep 18, 2015

Commits on Jun 3, 2015

Commits on Apr 10, 2015

Commits on Mar 7, 2015

Commits on Mar 6, 2015

Commits on Feb 20, 2015

Commits on Nov 25, 2014

Commits on Nov 16, 2014

Commits on Nov 5, 2014

Commits on Nov 3, 2014

Commits on Oct 27, 2014

Commits on Sep 27, 2014

Commits on Sep 3, 2014

Commits on Aug 11, 2014