[console_scripts]
ase_traj2xyz_traj = AtomicAI.tools.ase_traj2xyz_traj:ase_traj2xyz_traj
build_constrained_multilayers = AtomicAI.tools.build_constrained_multilayers:main
build_interface = AtomicAI.tools.build_interface:build_interface
build_multilayers = AtomicAI.tools.build_multilayers:build_multilayers
cif2cq = AtomicAI.tools.cif2cq:cif2cq
cq2cif = AtomicAI.tools.cq2cif:cq2cif
cq2vasp = AtomicAI.tools.cq2vasp:cq2vasp
dim_reduction = AtomicAI.dim_reduction.dim_reduction:dim_reduction
dim_reduction_mpi = AtomicAI.dim_reduction.dim_reduction_mpi:dim_reduction_mpi
generate_descriptors = AtomicAI.descriptors.calculate_descriptors:calculate_descriptors
generate_force_descriptors = AtomicAI.descriptors.generate_force_descriptor:generate_force_descriptors
laaf = AtomicAI.descriptors.calculate_laaf_des:calculate_laaf_des
lammps_npt_inputs = AtomicAI.tools.lammps_npt:generate_lammps_npt_inputs
lammps_nvt_inputs = AtomicAI.tools.lammps_nvt:generate_lammps_nvt_inputs
lmp2vasp = AtomicAI.tools.lmptraj2vasp:lmptraj2vasp
lpp = AtomicAI.dim_reduction.lpp:lpp
optimize_tslpp_hyperparameters_with_prediction = AtomicAI.dim_reduction.perform_tslpp_for_hyperparameters_with_prediction:perform_tslpp_hyperparameters
optimize_tslpp_hyperparameters_without_prediction = AtomicAI.dim_reduction.perform_tslpp_for_hyperparameters:perform_tslpp_hyperparameters
pca = AtomicAI.dim_reduction.pca:pca
plot_clusters = AtomicAI.plots.plot_clusters:plot_clusters
plot_lammps_md = AtomicAI.tools.plot_lammps_md:plot_lammps_md
plot_md_stats = AtomicAI.tools.plt_md_stats:plt_md_stats
plot_rdf_data = AtomicAI.plots.plot_rdf_data:read_RDF_data
plot_vasp_md = AtomicAI.tools.plot_vasp_md:plot_vasp_md
predict_tslpp = AtomicAI.dim_reduction.perform_tslpp_predict:perform_tslpp_predict
rdf = AtomicAI.tools.rdf:RDF
structure_analysis = AtomicAI.tools.structure_analysis:structure_analysis
supercell = AtomicAI.tools.supercell:supercell
surfaces = AtomicAI.tools.surfaces:structures
vasp2cif = AtomicAI.tools.vasp2cif:vasp2cif
vasp2cq = AtomicAI.tools.vasp2cq:vasp2cq
vasp2lmp_data = AtomicAI.tools.vasp2lmp_data:vasp2lmp_data
vasp2vasp = AtomicAI.tools.vasp2vasp:vasp2vasp
vasp2xyz = AtomicAI.tools.vasp2xyz:vasp2xyz
vaspDB_aimd_run = AtomicAI.tools.vaspDB_aimd_inputs:vaspDB_aimd_inputs
vaspDB_vc_run = AtomicAI.tools.vaspDB_vc_inputs:vaspDB_vc_inputs
wrap2unwrap = AtomicAI.tools.unwrapped:unwrapped
xyz2vasp = AtomicAI.tools.xyz2vasp:xyz2vasp
