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....); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More detailed description as well as documentation can be found at webpage http://xrayutilities.sourceforge.io/. Downloads for windows can be found on http://pypi.python.org/pypi/xrayutilities Development is performed on github: https://github.com/dkriegner/xrayutilities

...Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode

NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php.

...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/

...A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)

...Continue to the download section for the latest release information Rrs data processing code (the 'fingerprint technique') is also available - but moved to my github page: https://github.com/StefanSimis -------- Oct 2014: a beta version is available (20141006) Sep 2014 news: The latest version is 20140723, addressing some bugs. See the change log. Enjoy! Two Rflex units collected over 30,000 validated Rrs spectra on the Baltic Sea this year! See http://www.ferryscope.org for dissemination of these results in the coming years. ------ Licence: http://creativecommons.org/licenses/by-nc-sa/3.0/