Beta version of NWChem 6.6 available for download

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Dear users

The NWChem team is pleased to announce the beta version of the 6.6 release of the NWChem suite of computational chemistry codes.

October 13 Update: A new version of the tar file was uploaded on October 13 2015. The revision number is 27715.
For details please see
http://www.nwchem-sw.org/index.php/Download#Download_the_beta_version_of_the_NWChem_6.6_Re...

Download from
http://www.nwchem-sw.org/download.php?f=Nwchem-6.6.revision27715-src.2015-10-13.tar.gz

Compilation instruction at
http://www.nwchem-sw.org/index.php/Compiling_NWChem

Documentation at
http://www.nwchem-sw.org/index.php/Release66:NWChem_Documentation

Changelog available at
http://www.nwchem-sw.org/index.php/Release66:Changelog

The NWChem team
Edited On 4:14:02 PM PDT - Tue, Oct 20th 2015 by Edoapra

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Hi, Edo.

Where I can read ChangeLog from 6.5 stable?

Vladimir.
Edited On 9:58:17 PM PDT - Tue, Sep 29th 2015 by Vladimir

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Quote:Vladimir Sep 29th 8:57 pm
Hi, Edo.

Where I can read ChangeLog from 6.5 stable?

Vladimir.


The ChangeLog is now available at
http://www.nwchem-sw.org/index.php/Release66:Changelog
Edited On 11:11:15 AM PDT - Tue, Oct 6th 2015 by Edoapra

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Is the Maxima-generated DFT code ready for use in this release? Earlier this year I was trying to calculated NMR shielding properties with DFT but many of the nwdft functionals don't have the necessary second derivatives implemented. I was hoping that the new autogenerated code, though slower, would be more comprehensive.

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Quote:Mernst Oct 6th 9:21 am
Is the Maxima-generated DFT code ready for use in this release? Earlier this year I was trying to calculated NMR shielding properties with DFT but many of the nwdft functionals don't have the necessary second derivatives implemented. I was hoping that the new autogenerated code, though slower, would be more comprehensive.


Mernst,
Not all the components of the Maxima-generated code will be ready for use as part of the 6.6 release.
Once the stable version of the release is out, we will able to give a more precise statement about it


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