[DFTB+ Announce] DFTB+ 18.2 released

[Bálint Aradi]

Dear DFTB+ users,

Unfortunately last week a significant bug was found (and fixed) in the
*periodic* implementation of the Lennard-Jones dispersion-model. This is
usually used with the UFF dispersion model and effects all periodic L-J
calculations made with code versions starting with the 1.3 release from
December 2016 (and including 17.1 and 18.1). We thank Prof. Traian
Dumitricã for bringing this to our attention.

Non-periodic dispersion calculations with the LJ-dispersion model are
not affected in any code versions, similarly, calculations with
other dispersion models (Slater-Kirkwood, D3) are also not affected.

We are really sorry for any inconvenience this bug may have caused to
you. It was clearly a problem with our testing system, which allowed the
bug (created during a routine refactoring) to enter the code base
unnoticed. We are now working on extending our test framework and hope
to be able to prevent such mistakes in future.

As a result we are releasing a new version of DFTB+ (18.2) which
includes this and several other less significant bug fixes. As a new
feature, the H5 correction for hydrogen bonded systems is
also available in DFTB+ 18.2.

See the release notes at

https://www.dftbplus.org/download/dftb-stable/

for further details and for the download links.


Best regards,

DFTB+ developers


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/

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