Mjöllnir 0.3 is available

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Антон Л.

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Jan 8, 2013, 9:08:50 AM1/8/13
to mjollnir-mag...@googlegroups.com, Sergey Kolotilov, Mikhail Kiskin, ler...@yandex.ru
Dear colleagues,

I am glad to inform you, that I have actually released the next
Mjöllnir version, 0.3.

Comparing to the previous v. 0.22, in this version a lot of new
functionality was added to Mjöllnir, and its code was extensively
optimized in order to increase performance. Indeed, no significant
functionality changes were made comparing to 0.3-alpha version (but a
set of found bugs and issues were solved).

Short changelog vs. v.0.22:
* Implemented multipart systems treatment (dividing system into a set
of non-interacting parts).
* Implemented analytical equations usage.
* Initial parallelization support (eigenvalues calculation may be
parallelized on SMP systems with OpenMP).
* The model parser is extremely optimized (the main point --- avoided
slow matrix by matrix multiplications) --- model parsing is a few
times faster now.
* Initial lanthanides support.
* Changed input files requirements and launching scheme.
* Fixed bug caused by using LAPACK's ``slamch'' function instead of
required ``dlamch'' (this lowered the precision of eigenvalues
calculation to maximum precision of single precision real numbers
instead of possible double precision ones).

Binaries for win32 are available from the web page of the project:
https://sites.google.com/site/mjollnirmagn/

!!!!!! Note! In this version the names of input files were changed! !!!!!!!
In order to treat your old models with the new version, you have to:
1. Create additional file named "fragments" in the working directory
(please check out the manual and examples);
2. Rename your "model.xml" file to "model0.xml".

In before your questions and feedbacks :)

Also, I am glad to inform you, that I've succeeded in implementation
of stochastic automatic solution search methods within Mjöllnir
(namely, Monte-Carlo and Particle Swarm optimizations). They are
available in development branch of code and will be included in the
next release.

Yours sincerely,

Anton S. Lytvynenko.
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