Beta version of NWChem 6.6 available for download

Forum Vet

9:34:36 PM PDT - Tue, Sep 29th 2015
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://nwchemgit.github.io/index.php/Download#Download_the_beta_version_of_the_NWChem_6.6_Re... Download from http://nwchemgit.github.io/download.php?f=Nwchem-6.6.revision27715-src.2015-10-13.tar.gz Compilation instruction at http://nwchemgit.github.io/index.php/Compiling_NWChem Documentation at http://nwchemgit.github.io/index.php/Release66:NWChem_Documentation Changelog available at http://nwchemgit.github.io/index.php/Release66:Changelog The NWChem team

Gets Around

9:57:56 PM PDT - Tue, Sep 29th 2015
Hi, Edo. Where I can read ChangeLog from 6.5 stable? Vladimir.

Forum Vet

10:14:34 AM PDT - Wed, Sep 30th 2015
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://nwchemgit.github.io/index.php/Release66:Changelog

Gets Around

10:21:05 AM PDT - Tue, Oct 6th 2015
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.

Forum Vet

7:12:13 PM PDT - Fri, Oct 9th 2015
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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