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August 05, 2019, at 10:51 AM by MEH -
Changed line 22 from:
  • EMSL Basis Set Exchange
to:
  • Basis Set Exchange (BSE)
February 25, 2018, at 11:44 AM by MEH -
Changed line 3 from:
  • ACESII MAB
to:
  • ACESII MAB
February 25, 2018, at 11:44 AM by MEH -
Changed line 3 from:
  • ACESII MAB
to:
  • ACESII MAB
February 25, 2018, at 11:33 AM by MEH -
Changed line 52 from:
  • http://www.macinchem.org/blog/files/6bead5810a5a13f7f27a0b6806ad5f3d-937.php
to:
  • http://www.macinchem.org/blog/files/6bead5810a5a13f7f27a0b6806ad5f3d-937.php
February 25, 2018, at 11:33 AM by 141.52.120.124 -
December 19, 2017, at 04:29 PM by MEH -
Changed line 32 from:
  • G95 fortran95 compiler
to:
  • GFortran
Added line 34:
Added line 38:
December 19, 2017, at 04:27 PM by MEH -
Deleted line 31:
  • AMD Core Math Library (ACML)
December 19, 2017, at 04:27 PM by MEH -
Deleted line 45:
  • http://www.chem.helsinki.fi/~jonas/git_guides/HTML/CVS2git/
December 19, 2017, at 04:26 PM by MEH -
Deleted lines 37-38:
  • Open64 Compiler
  • x86 Open64 Compiler Suite
December 19, 2017, at 04:24 PM by MEH -
Changed lines 16-18 from:
  • DIRAC
  • GIMIC
  • MRCC
to:
  • DIRAC
  • GIMIC
  • MRCC
December 19, 2017, at 04:23 PM by MEH -
Changed line 16 from:
  • DIRAC
to:
  • DIRAC
December 19, 2017, at 04:22 PM by MEH -
Changed line 11 from:
  • MOLEKEL
to:
  • MOLEKEL
December 19, 2017, at 04:21 PM by MEH -
Changed line 34 from:
  • GotoBLAS
to:
  • OpenBLAS
September 27, 2017, at 12:14 PM by MEH -
Changed lines 3-4 from:
  • ACESII MAB
to:
  • ACESII MAB
Changed lines 7-12 from:
  • Avogadro
  • Gabedit
  • JMOL
  • MOLDEN
  • MOLEKEL
to:
  • Avogadro
  • Gabedit
  • JMOL
  • MOLDEN
  • MOLEKEL
Changed lines 15-19 from:
  • DALTON
  • DIRAC
  • GIMIC
  • MRCC
to:
  • DALTON
  • DIRAC
  • GIMIC
  • MRCC
Changed lines 22-29 from:
  • EMSL Basis Set Exchange
  • ccRepo
  • Pseudopotentials of the Stuttgart/Cologne group
  • TURBOMOLE Basis Set Library
  • Dyall Basis Sets
to:
  • EMSL Basis Set Exchange
  • ccRepo
  • Pseudopotentials of the Stuttgart/Cologne group
  • TURBOMOLE Basis Set Library
  • Dyall Basis Sets
Changed lines 32-41 from:
  • AMD Core Math Library (ACML)
  • G95 fortran95 compiler
  • GotoBLAS
  • Intel Compilers
  • Intel Math Kernel Library (Intel MKL)
  • Intel MKL Link Line Advisor
  • Open64 Compiler
  • x86 Open64 Compiler Suite
  • PGI compilers
to:
  • AMD Core Math Library (ACML)
  • G95 fortran95 compiler
  • GotoBLAS
  • Intel Compilers
  • Intel Math Kernel Library (Intel MKL)
  • Intel MKL Link Line Advisor
  • Open64 Compiler
  • x86 Open64 Compiler Suite
  • PGI compilers
Changed lines 44-45 from:
  • MSC
to:
  • MSC
Changed lines 48-50 from:
  • http://www.chem.helsinki.fi/~jonas/git_guides/HTML/CVS2git/
  • http://nvie.com/posts/a-successful-git-branching-model/
to:
  • http://www.chem.helsinki.fi/~jonas/git_guides/HTML/CVS2git/
  • http://nvie.com/posts/a-successful-git-branching-model/
Changed lines 53-54 from:
  • http://www.macinchem.org/
  • http://www.macinchem.org/blog/files/6bead5810a5a13f7f27a0b6806ad5f3d-937.php
to:
  • http://www.macinchem.org/
  • http://www.macinchem.org/blog/files/6bead5810a5a13f7f27a0b6806ad5f3d-937.php
June 11, 2017, at 01:06 PM by MEH -
Deleted line 22:
  • TURBOMOLE Basis Set Library
Deleted line 23:
  • Dyall Basis Sets
Added lines 25-27:
  • TURBOMOLE Basis Set Library
  • Dyall Basis Sets
June 11, 2017, at 01:06 PM by MEH -
Changed line 24 from:
  • ccRepo
to:
  • ccRepo
Changed line 26 from:
  • Pseudopotentials of the Stuttgart/Cologne group
to:
  • Pseudopotentials of the Stuttgart/Cologne group
June 11, 2017, at 01:05 PM by MEH -
Changed line 23 from:
  • TURBOMOLE Basis Set Library
to:
  • TURBOMOLE Basis Set Library
September 15, 2016, at 04:36 PM by MEH -
Added line 24:
  • ccRepo
Added line 27:
February 08, 2014, at 05:26 PM by MEH -
Changed line 41 from:
  • MSC
to:
  • MSC
April 18, 2012, at 08:38 AM by MEH -
Added line 51:
  • http://www.macinchem.org/blog/files/6bead5810a5a13f7f27a0b6806ad5f3d-937.php
April 18, 2012, at 08:38 AM by MEH -
Added lines 48-50:

Other Links

  • http://www.macinchem.org/
June 26, 2011, at 07:14 PM by MEH -
Added line 45:
  • http://www.chem.helsinki.fi/~jonas/git_guides/HTML/CVS2git/
Added line 47:
June 26, 2011, at 07:10 PM by MEH -
Added lines 42-45:

git

  • http://nvie.com/posts/a-successful-git-branching-model/
March 02, 2011, at 05:33 PM by MEH -
Changed line 41 from:
  • MSC
to:
  • MSC
March 02, 2011, at 05:32 PM by MEH -
Changed line 41 from:
  • MSC
to:
  • MSC
January 24, 2011, at 05:43 PM by MEH -
Changed line 23 from:
  • TURBOMOLE Basis Set Library
to:
  • TURBOMOLE Basis Set Library
January 24, 2011, at 05:41 PM by MEH -
Changed line 11 from:
  • MOLEKEL
to:
  • MOLEKEL
January 24, 2011, at 05:40 PM by MEH -
Changed line 16 from:
  • DIRAC
to:
  • DIRAC
January 12, 2011, at 06:37 PM by MEH -
Changed line 31 from:
  • GotoBLAS
to:
  • GotoBLAS
December 10, 2010, at 04:09 AM by 71.20.84.134 -
Changed line 3 from:
  • ACESII MAB
to:
  • ACESII MAB
November 10, 2010, at 05:18 PM by 71.20.84.134 -
Added line 25:
  • Pseudopotentials of the Stuttgart/Cologne group
November 02, 2010, at 05:25 PM by 71.20.84.134 -
Changed lines 24-25 from:
  • [[ http://dirac.chem.sdu.dk/basisarchives/dyall/index.html| Dyall Basis Sets
to:
  • Dyall Basis Sets
November 02, 2010, at 05:25 PM by 71.20.84.134 -
Changed line 24 from:
to:
  • [[ http://dirac.chem.sdu.dk/basisarchives/dyall/index.html| Dyall Basis Sets
November 02, 2010, at 05:20 PM by 71.20.84.134 -
Added line 23:
  • TURBOMOLE Basis Set Library
February 21, 2010, at 06:12 PM by MEH -
Changed lines 26-34 from:
  • AMD Core Math Library (ACML)
  • G95 fortran95 compiler
  • GotoBLAS
  • [[http://software.intel.com/en-us/intel-compilers/ | Intel Compilers ]
  • Intel Math Kernel Library (Intel MKL)
  • Intel MKL Link Line Advisor
  • Open64 Compiler
  • x86 Open64 Compiler Suite
  • PGI compilers
to:
  • AMD Core Math Library (ACML)
  • G95 fortran95 compiler
  • GotoBLAS
  • Intel Compilers
  • Intel Math Kernel Library (Intel MKL)
  • Intel MKL Link Line Advisor
  • Open64 Compiler
  • x86 Open64 Compiler Suite
  • PGI compilers
February 21, 2010, at 06:11 PM by MEH -
Added line 29:
  • [[http://software.intel.com/en-us/intel-compilers/ | Intel Compilers ]
February 21, 2010, at 05:58 PM by MEH -
Deleted lines 19-22:

Tools

  • MSC
Added lines 34-37:

Tools

  • MSC
February 21, 2010, at 05:57 PM by MEH -
Added line 35:
  • Open64 Compiler
February 21, 2010, at 05:56 PM by MEH -
Added line 35:
  • x86 Open64 Compiler Suite
February 21, 2010, at 05:50 PM by MEH -
Changed line 32 from:
to:
  • GotoBLAS
February 21, 2010, at 05:49 PM by MEH -
Added line 32:
February 21, 2010, at 05:46 PM by MEH -
Changed line 33 from:
  • Intel Math Kernel Library Link Line Advisor
to:
  • Intel MKL Link Line Advisor
February 21, 2010, at 05:45 PM by MEH -
Changed lines 32-33 from:
  • Intel® Math Kernel Library Link Line Advisor
to:
  • Intel Math Kernel Library (Intel MKL)
  • Intel Math Kernel Library Link Line Advisor
February 21, 2010, at 05:43 PM by MEH -
Added line 30:
  • AMD Core Math Library (ACML)
February 21, 2010, at 05:41 PM by MEH -
Changed lines 31-32 from:
  • Intel® Math Kernel Library Link Line Advisor
to:
  • Intel® Math Kernel Library Link Line Advisor
  • PGI compilers
February 21, 2010, at 05:35 PM by MEH -
Deleted lines 7-8:
Deleted lines 8-9:
Deleted lines 9-10:
Deleted lines 10-11:
Deleted line 12:
Deleted line 14:
Deleted lines 15-16:
Deleted lines 16-17:
Deleted lines 17-18:
Deleted line 19:
Deleted line 21:
Deleted line 23:
Deleted line 25:
Deleted line 27:
Deleted line 28:
February 21, 2010, at 05:34 PM by MEH -
Added line 52:
  • G95 fortran95 compiler
February 21, 2010, at 05:31 PM by MEH -
Changed lines 7-21 from:
  • Avogadro
  • Gabedit
  • JMOL
  • MOLDEN
  • MOLEKEL
to:
  • Avogadro
  • Gabedit
  • JMOL
  • MOLDEN
  • MOLEKEL
Changed lines 25-33 from:
  • DIRAC
  • GIMIC
  • MRCC
to:
  • DALTON
  • DIRAC
  • GIMIC
  • MRCC
Changed lines 40-42 from:
  • MSC
to:
  • MSC
Changed lines 46-48 from:
  • EMSL Basis Set Exchange
to:
  • EMSL Basis Set Exchange
Changed line 52 from:
  • Intel® Math Kernel Library Link Line Advisor
to:
  • Intel® Math Kernel Library Link Line Advisor
February 21, 2010, at 05:23 PM by MEH -
Deleted lines 27-29:
  • EMSL Basis Set Exchange
Added lines 34-36:

Tools

Added lines 38-43:

Basis sets

  • EMSL Basis Set Exchange
February 21, 2010, at 05:21 PM by MEH -
Changed lines 5-6 from:
to:

Visualization software that can be used together with CFOUR

Deleted lines 12-20:
  • DIRAC
  • EMSL Basis Set Exchange
  • GIMIC
Added lines 20-31:

Computer chemistry software for which CFOUR provides interfaces

  • DIRAC
  • EMSL Basis Set Exchange
  • GIMIC
February 21, 2010, at 05:17 PM by MEH -
Changed line 1 from:
to:

The predecessor of CFOUR

February 21, 2010, at 05:11 PM by MEH -
Deleted line 2:
Changed line 36 from:
to:

Compiler and math libraries

February 21, 2010, at 05:10 PM by MEH -
Added lines 2-3:
Added lines 35-37:
February 21, 2010, at 05:07 PM by MEH -
Added line 1:
Changed lines 32-35 from:
  • MSC
to:
  • MSC
  • Intel® Math Kernel Library Link Line Advisor
February 16, 2010, at 04:09 PM by MEH -
Added lines 30-31:
  • MSC
February 16, 2010, at 04:04 PM by MEH -
Added lines 5-7:
  • Gabedit
November 01, 2009, at 05:03 PM by MEH -
Deleted lines 18-20:
  • MRCC
Added lines 23-26:
  • MRCC
November 01, 2009, at 05:02 PM by MEH -
Added lines 1-3:
  • ACESII MAB
Added lines 7-9:
  • DIRAC
Changed lines 13-15 from:
  • DIRAC
to:
  • GIMIC
  • JMOL
Deleted lines 21-23:
  • JMOL
Deleted lines 25-32:
  • GIMIC
  • ACESII MAB
November 01, 2009, at 05:01 PM by MEH -
Added lines 1-3:
  • Avogadro
Deleted line 27:
  • http://www.tu-chemnitz.de/chemie/theochem/scripts.php
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Page last modified on August 05, 2019, at 10:51 AM
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CFOUR is partially supported by the U.S. National Science Foundation.