SIAB: codes to generate numerical atomic orbitals.

molden: generate molden style file for Multiwfn analysis.

plot-tools: band structure, dos and pdos, dipole and adsorption.

rt-tddft-tools: tools for real-time tddft.

average_pot: python script used to calculate and plot the average electrostatic potential.

stm: generate figures related to Scanning tunneling microscope technique.

generate_orbital.sh: script used to generate numerical atomic orbitals (NAO).

opt_abfs_bash: related to generating NAO basis set.

opt_lcao_bash: related to generating NAO basis set.

opt_orb_pytorch: related to generating NAO basis set.

opt_orb_pytorch_dpsi: related to generating NAO basis set.

qo: generate quasiatomic orbital (qo).

selective_dynamics: used to do selective dynamics with ABACUS + Phonopy.