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ase

Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase

bilayer_tight_binding

Publication-ready directory for single and bi-layer graphene DFT tight-binding models under lattice deformation.

lammps_param_sweep

Run parameter sweeps for varying geometries in Lammps

latte

Developer repository for the LATTE code

mse485_group8_finalproject

Code to generate results for group 8's final project. Includes data from LAMMPS

pythtb_tblg

Tight Binding tools for twisted bilayer graphene. Based off of Pythtb. Includes GPU capabilities, k point parallelization, just-in-time compiling, sparse solvers.

tegt_structure_relax

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

tmd_dft_bilayer

test data for density functional theory on transition metal dichalcogenide bilayers

topological_diagnosis