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Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents) using VASP, VASPsol and materialspr…

Python 1 Updated Mar 11, 2017

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

Python 1 Updated Dec 8, 2016