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PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.
Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.
Example Monte Carlo Simulation of Argon, includes Radial Distribution Function Analysis
This repository archives related content for GPU-accelerated cDFT
demo of a NLDFT project ( didactic purposes, not optimized )