Search Results for "dft"

ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. 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

JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

...Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.

A collection of projects I have developed in the past years. It contains: - a tool to compute height and angle of objects above horizon - a proof of concept of DFT and DWT to reduce audio files - a quantitative library with OOorg interface for Calc

clupan is a tool for performing the cluster expansion and several Monte Carlo simulations in multicomponent alloys. clupan can be used for predicting ground state structures and evaluating phase diagrams on the basis of results of DFT calculations.

A C++ implementation of Dynamic Field Theory (DFT), Amari kind of space-time continuous fields representing activation of populations in neural cortex. Source code for the GUI is available through SVN.

Unofficial branch of MIT's MEEP, extending it (hence meepext) with export capabilities of DFT data to disk, in a better readable fashion than the default.

PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.

...Tools for creating and destroying the communication queues, loading/saving PCM 44100 Hz to/from the signal processing chain, windowing the data (currently only a Hann windowing function module), performing a Discrete Fourier Transform (DFT) on the data (using FFT, currently only real part), detecting the presence of an event within a data segment/packet via normalized spectral signature matching/comparison, and the generation of a midi file from the detection of said patterns (i.e., event occurrences) as output are currently available.