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KherveBook is a Jupyter-inspired computational notebook built as a native PyQt5 desktop application. A single document mixes five kinds of cell: runnable Python code, formatted Markdown, typeset LaTeX, JavaScript/HTML, and live spreadsheets. Python runs in an in-process kernel with NumPy, SciPy, pandas and Matplotlib preloaded. A side AI chat that knows the API of KherveBook that can write your Python program for you. Spreadsheet cells evaluate A1-style formulas in Python; LaTeX cells...

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 :...

f3dmlib is a FEM library that can read, write and analyse 3D tetrahedral meshes, minimize a given functional, and refine the resulting meshes. The minimization is parallelized with OpenMP. Three main features in unstable 1.8.x version (available via GIT): quadratic elements, periodic boundary conditions, and the solver for scalar and electromagnetic wave equations. f3dmgeom is a collection of a few simple tools for creating surface meshes for tetgen. It can handle simple geometries only.