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Benchmark Suite for Machine Learning Interatomic Potentials for Materials
This directory contains a simplified matlab and fortran version of the STRATA library https://github.com/modelics/strata for the computation of the Green's function of an Half space background. It can be used for research and academic purposes. In this MATLAB/Fortran version only the half space case (two semi-infinite layers) is considered. Moreover, only the "integrate" technique is implemented and we only focus on the components of the dyadic K(A), and the scalar term K(φ), as defined in formulation-C of [1] The original C++ Strata library, instead, also implements the multi-layer version of the Green's functions and other methods (DCIM, quasistatic) and features are provided. See https://github.com/modelics/strata for more details.
Massively Parallel Gravitational Potential Calculator and Voxelizer Python Interface
Atomic Dataset Generator for training ML potentials