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ATK 2009.12 makes the semi-empirical model available on Windows, enables calculations on charged systems, and can treat a system immersed in a solvent.
Key updates:
- The semi-empirical model released for Windows
- ATK is now installed via a binary installer, both for Linux and Windows, which also automates the license setup
- A new boundary condition, MultipoleBoundaryCondition, allows for calculations of charged systems
- The whole system can be immersed in a solvent with a given dielectric constant
- EquivalentBulk is back
As before noted for the 2009.11 release, ATK-DFT 2009.12 is not a complete replacement of ATK 2008.10, as it is still missing a few key features. Therefore it is considered an alpha-version, while VNL hereby is released in another beta-version.
This version is known not to function on Redhat-compatible Linux distributions (CentOS, Scientific Linux, etc), due to an older version of GLIBC. Specific builds for these distributions are expected to be released during 2010. We have however confirmed that this version (and earlier ones) of ATK runs on Fedora 12, thanks to recent updates in their distribution.
For more detailed information, see the release letter!
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