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Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Publication-ready directory for single and bi-layer graphene DFT tight-binding models under lattice deformation.
Tools to build bilayer graphene total energy and tight binding models
Run parameter sweeps for varying geometries in Lammps
Developer repository for the LATTE code
Code to generate results for group 8's final project. Includes data from LAMMPS
Tight Binding tools for twisted bilayer graphene. Based off of Pythtb. Includes GPU capabilities, k point parallelization, just-in-time compiling, sparse solvers.
Run structure relaxations for twisted bilayer graphene using total energy tight binding model. Code interfaces with LAMMPS and LATTE. LATTE runs in parallel over kpoints
test data for density functional theory on transition metal dichalcogenide bilayers
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Data-Driven Documents codes.
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