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1. VOLT VOLT Public

   The next-generation platform designed for high-performance research teams and enthusiastic materials scientists!

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2. opendxa opendxa Public

   Modular DXA-implementation. Supports multiple lattice types and structure identification methods including PTM, CNA, and Diamond structure analysis. Identifies dislocation lines, computes Burgers v…

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3. CoreToolkit CoreToolkit Public

   Core C++ library providing math primitives (Vector3, Matrix3, Quaternion), spatial data structures (KD-trees, octrees), simulation cell handling, and parallel algorithms for molecular dynamics anal…

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4. atomic-strain atomic-strain Public

   Computes per-atom strain tensors from atomic configurations. Calculates Green-Lagrangian strain, von Mises strain, and principal strains for deformation analysis in molecular dynamics simulations.

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5. centrosymmetry-parameter centrosymmetry-parameter Public

   Calculates the centrosymmetry parameter (CSP) for each atom to detect point defects, surfaces, and dislocation cores. Useful for visualizing crystal defects in FCC and BCC metals.

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6. cluster-analysis cluster-analysis Public

   Groups particles into clusters based on distance cutoff or bond topology. Identifies connected components, computes cluster sizes, centers of mass, and gyration tensors .

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