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  • 1
    xrayutilities

    xrayutilities

    a package with useful scripts for X-ray diffraction physicists

    ....); 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
    Downloads: 4 This Week
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  • 2
    ALAMODE

    ALAMODE

    Ab initio simulator for thermal transport and lattice anharmonicity

    ...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
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    Downloads: 30 This Week
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  • 3

    Inelastica

    Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)

    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.
    Downloads: 0 This Week
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  • 4
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    ...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/
    Downloads: 0 This Week
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  • 5
    ...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)
    Downloads: 0 This Week
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  • 6

    RFlex

    Spectroradiometer control for shipborne reflectance measurements

    ...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/
    Downloads: 0 This Week
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