As the dates on the preceding news indicate, there hasn't been much traffic on the NOSE project site during the last year. The project itself, however, didn't stale, it moves steadily forward, albeit with a slow pace. This news item starts a new effort in communication of information from the project members to the potential users, and will be hopefully soon be followed by new releases and an update of the project website.
Long live NOSE!
After quite a while there is an update available on both NOSE (ver. 0.5.7) and LNOSE (ver. 0.4.23) packages. The main news is that both packages can now be simply integrated. The integration was achieved by adding a new short script that enables you to decide which version of NOSE to use. The main script "nose" accepts now an option --set-version x.y.z which specifies which of the installed versions of NOSE is to be used in subsequent calculations.
Starting with version 0.5.7 of NOSE and version 0.4.23 of LNOSE, installation of a new version of either of the packages does not interfere with previously installed versions. Rather, the new version is added to the list of version (available through typing: nose --list) and the list can be used to select a desired version at anytime.
As the two main version of NOSE package do not share the common input format, the work with both of them at the same time is rather hard, but a lot easier now than before the integration.
The next version of NOSE that is due probably this week brings a minor change in the SSF input format.
The most important keyword of all, TRANSITION, gets one more argument specifying the length of the transition dipole moment. The dipole moment vector was previously specified by three vector components. These are still specified, but only their direction is now used. This makes working with them much easier, as you don't have to think about re-normalizing the vectors every time change them, or calculate new vector components if you want to change the length of the vector only. ... read more
In the recently released version 0.5.6 of NOSE two features have been implemented. First, the static disorder averaging was added by introducing BEGIN_DISORDER and END_DISORDER block (read more in the project Wiki) and second, dipole-dipole coupling energy can be now calculated from the position and transition dipole moment vectors directly in the input file. The SSF format was extended to include functions and he first function, called "dipole_dipole", calculates the dipole-dipole interaction energy. More detains in the project Wiki. ... read more
Starting from today, the legacy version of NOSE that calculates 2D spectra of excitonic systems is available from CVS. After basic testing also a legacy package will be released. The legacy NOSE (before version 0.5.0) - now called LNOSE - has a slightly less flexible format and its design is certainly not perfect, but it offers functionality that will still be missing from the new NOSE for some time. Some of the reasons for leaving its development can be found in the history section of the NOSE wiki. There will be no development of new features for the legacy NOSE, sometimes however, features will be transfered into it from the new NOSE where possible. That was the case of the lapack 95 dependecy, that was recently removed from the LNOSE after being first achieved in the new NOSE.... read more
By today, compilation of NOSE does not require source code of LAPACK95 library. So far, NOSE was using only two routines from this library, but was required to compile it as a whole during installation. Now, it includes only the two routines that are then linked directly to lapack precompiled library. All this should make the work with NOSE much easier. Soon the package 0.5.5 that contains these changes will be available for download.... read more
Today, first version of the NOSE code becomes publicly available. As the project is in its very early stage, the files that you can now download from the Download site or check out from CVS represent just a test on which I learn to manage the project. However, soon the first really working version of both the package and documentation should be available for users and future developers. Check out the project forums and the project Wiki for news and project information. ... read more