Showing 8 open source projects for "k-meleon"

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  • 1
    VASPKIT
    Basic features: 1. Generate KPOINTS, POTCAR and INCAR for a given POSCAR file; 2. Elastic-constants using stress-strain or energy-strain methods; 3. Equation-of-state fitting; 4. Suggested k-paths for a given crystal structure; 5. Optical adsorption coefficient; 6. Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function analysis; 12. Molecular...
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    Downloads: 858 This Week
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  • 2
    ransfoil

    ransfoil

    console to calculate airflow around an airfoil based on RANS approach

    RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and...
    Downloads: 3 This Week
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  • 3

    PY-Nodes

    Code for finding nodes in a material using first-principle approach.

    ... minimizes the function f(k), which is defined as sum of the absolute energy difference of the adjacent pairs of bands at a given k-point. Please cite the paper mentioned below while using the PY-Nodes code for your research. V. Pandey and S.K. Pandey, Comput. Phys. Commun. 283, 108570 (2023). The link of the paper: https://doi.org/10.1016/j.cpc.2022.108570
    Downloads: 0 This Week
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  • 4
    XISMuS

    XISMuS

    X-Ray Imaging Software for Multiple Samples

    ATTENTION: Cumulative update 2.5.0 has been released!! The update works for any previous 2.x.x version. If upgrading from version v1.x.x, please download and install v2.0.0 first. IMPORTANT FIXES in respect to base v2.0.0 version: v.2.5.0 introduces the Differential Attenuation and Cube Viewer utilities, and migrates user database to *.json files v2.4.3 fixes a with K element in the fit-approx method v2.4.3 fixes and issue where saving plots with fit-approx or a auto-wizard could freeze...
    Downloads: 0 This Week
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  • 5
    RMGDFT

    RMGDFT

    Real Space Multigrid based electronic structure code.

    News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on...
    Downloads: 0 This Week
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  • 6
    Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
    Downloads: 0 This Week
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  • 7
    Multi-Partite Community Detection - community detection (aka graph clustering) in k-partite k-uniform hypergraphs
    Downloads: 0 This Week
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  • 8
    a C++ template container implementation of k-dimensional space sorting based on the kd-tree data structure. THIS PROJECT HAS MOVED TO ALIOTH.DEBIAN.ORG
    Downloads: 0 This Week
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