dft-calculations

Here are 3 public repositories matching this topic...

SPARC-X / M-SPARC

Matlab Simulation Package for Ab-initio Real-space Calculations

matlab boundary-conditions electronic-structure kohn-sham finite-difference-method rapid-prototyping-framework dft-calculations structural-optimization real-space

Updated Nov 21, 2024
MATLAB

Swati-Verma671 / Computation-of-DFT-using-Radix-2-DIT-FFT-algorithm

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Developed a matlab code to compute DFT of given input sequence with DIT-FFT butterfly method.

matlab digital-signal-processing dft-calculations dit-fft

Updated Nov 19, 2022
MATLAB

Some part of USPEX source code is published here to help users to interface new codes with USPEX, or debug the previous interfaces. Now, It is also possible to add new fitness functions to USPEX. This will allow users to search for any property that they want using evolutionary algorithm USPEX.

material-design evolutionary-algorithms fitness-function dft-calculations uspex

Updated Jan 18, 2022
MATLAB

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