Recent Changes - Search:

edit SideBar

00beta

CFOURV2.00beta History

Hide minor edits - Show changes to markup

October 11, 2016, at 08:55 AM by MEH -
Changed line 37 from:

(size: 65 MB; md5sum:41b95c47ab945b2f46d8ad8bcad8e348)

to:

(size: 102 MB; md5sum:14c8542acfcbf6e68d1dfcb242253c1a)

October 10, 2016, at 06:48 PM by Devin Matthews -
Changed line 47 from:

You will find the compiled binaries in the directory cfour_v2.00beta_64bit_linux_serial/bin and the basis set files in the directory cfour_v2.00beta/basis.

to:

You will find the compiled binaries in the directory cfour_v2.00beta_64bit_linux_serial/bin and the basis set files in the directory cfour_v2.00beta_64bit_linux_serial/basis.

October 10, 2016, at 06:47 PM by Devin Matthews -
Changed lines 42-47 from:

gunzip cfour_v1*.tar.gz
tar xvf cfour_v1*.tar

You will find the compiled binaries in the directory cfour_v2.00beta/bin and the basis set files in the directory cfour_v2.00beta/basis.

to:

gunzip cfour_v2*.tar.gz
tar xvf cfour_v2*.tar

You will find the compiled binaries in the directory cfour_v2.00beta_64bit_linux_serial/bin and the basis set files in the directory cfour_v2.00beta/basis.

April 04, 2016, at 11:16 AM by MEH -
Changed lines 37-38 from:

(size: 65 MB; md5sum:41b95c47ab945b2f46d8ad8bcad8e348)

to:

(size: 65 MB; md5sum:41b95c47ab945b2f46d8ad8bcad8e348)

Changed line 57 from:

(size: 15 MB; md5sum:c09948bf357100b4a9a93f3cad10ec2d)

to:

(size: 15 MB; md5sum:c09948bf357100b4a9a93f3cad10ec2d)

June 20, 2014, at 11:35 PM by MEH -
Changed lines 27-28 from:

Please note that this is a public beta test, i.e. this version of CFOUR is not meant for real applications.

to:

Please note that this is a public beta test, i.e. this version of CFOUR is not meant for real applications. Please do not use the beta version for production computations unless you exactly know what you are doing and you are an experienced CFOUR user.

May 30, 2014, at 06:43 AM by MEH -
Changed line 19 from:
  • hextic centrifugal distortion constants
to:
  • sextic centrifugal distortion constants
May 25, 2014, at 09:40 AM by MEH -
Added lines 27-28:

Please note that this is a public beta test, i.e. this version of CFOUR is not meant for real applications.

May 06, 2014, at 04:24 PM by MEH -
Changed lines 31-32 from:

Please download your copy of the serial CFOUR V2.00beta binaries via link below (password required).

to:

Please download your copy of the serial CFOUR V2.00beta binaries via link below (password required, may not work with Internet explorer, please use something else).

Changed line 50 from:

Please download your copy of the CFOUR source code via the following link (password required).

to:

Please download your copy of the CFOUR source code via the following link (password required, may not work with internet explorer, please use something else).

May 02, 2014, at 11:54 PM by MEH -
Changed line 16 from:
  • parallel CCSDT, Mk-CCSD, and Mk-CCSDT
to:
  • parallel RHF CCSDT, Mk-CCSD, and Mk-CCSDT
April 24, 2014, at 08:08 AM by MEH -
Added lines 1-27:

CHANGES

Some of the additional features of CFOUR V2.00beta relative to the release in June 2010 are

  • sparse matrix code for AO based CCSD
  • RHF CCSDT, CCSDT(Q) and CCSDTQ energies via the new NCC module
  • efficient gradients for the dropped core approximation
  • SCTST
  • block diagonalization for a diabatic treatment
  • EOMIP- and EOMDIP-CCSDT code
  • improvements in internal coordinate code
  • parallel CCSD(T) with vcc
  • Mk-CCSD, Mk-CCSD(T), Mk-CCSDT
  • Mk-CC gradients
  • parallel CCSDT, Mk-CCSD, and Mk-CCSDT
  • SO-CCSD/SO-CCSD(T) energies & gradients
  • extrapolated geometries
  • hextic centrifugal distortion constants
  • X2C energies & gradients
  • Gaussian nuclear model
  • a new testsuite
  • compatibility with gfortran (versions 4.4 to 4.6)
  • lapack support
March 04, 2014, at 10:57 PM by MEH -
Changed line 7 from:

(size 73 MB; md5sum:82e2177c9250e9d2a8b69bb793027763)

to:

(size: 65 MB; md5sum:41b95c47ab945b2f46d8ad8bcad8e348)

March 04, 2014, at 10:51 PM by MEH -
Added lines 14-15:
March 04, 2014, at 10:50 PM by MEH -
Changed lines 1-7 from:

Please download your copy of the CFOUR source code via the following link (password required).

http://www.staff.uni-mainz.de/harding/cfour_v2.00beta.tar.gz (md5sum:c09948bf357100b4a9a93f3cad10ec2d)

to:

SOURCE AND BINS

Please download your copy of the serial CFOUR V2.00beta binaries via link below (password required).

http://www.staff.uni-mainz.de/harding/cfour_v2.00beta_64bit_linux_serial.tar.gz (size 73 MB; md5sum:82e2177c9250e9d2a8b69bb793027763)

To install CFOUR, the following commands should be executed:

gunzip cfour_v1*.tar.gz
tar xvf cfour_v1*.tar
You will find the compiled binaries in the directory cfour_v2.00beta/bin and the basis set files in the directory cfour_v2.00beta/basis.

SOURCE ONLY

Please download your copy of the CFOUR source code via the following link (password required).

http://www.staff.uni-mainz.de/harding/cfour_v2.00beta.tar.gz (size: 15 MB; md5sum:c09948bf357100b4a9a93f3cad10ec2d)

March 04, 2014, at 10:46 PM by MEH -
Added lines 1-20:

Please download your copy of the CFOUR source code via the following link (password required).

http://www.staff.uni-mainz.de/harding/cfour_v2.00beta.tar.gz (md5sum:c09948bf357100b4a9a93f3cad10ec2d)

To install CFOUR, the following commands should be executed:

gunzip cfour_v2.00beta.tar.gz
tar xvf cfour_v2.00beta.tar
cd cfour_v2.00beta
configure (for options, try configure --help)
gmake

After a lot of output, you will find the compiled binaries in the directory cfour_v2.00beta/bin and the basis set files in the directory cfour_v2.00beta/basis.

Edit - History - Print - Recent Changes - Search
Page last modified on October 11, 2016, at 08:55 AM
This page has been visited 5224 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.