LICENSE.txt
MANIFEST.in
README.md
requirements.txt
setup.cfg
setup.py
scripts/convertPP.py
scripts/convert_den.py
scripts/convert_td.py
scripts/dftpy
scripts/invert
scripts/opt_layer_pseudo.py
scripts/quadrupole.py
scripts/rtc_runner
scripts/test_layer_pseudo.py
src/dftpy/__init__.py
src/dftpy/__main__.py
src/dftpy/constants.py
src/dftpy/ewald.py
src/dftpy/fft.py
src/dftpy/field.py
src/dftpy/grid.py
src/dftpy/interface.py
src/dftpy/inverter.py
src/dftpy/ions.py
src/dftpy/linear_solver.py
src/dftpy/math_utils.py
src/dftpy/optimize.py
src/dftpy/time_data.py
src/dftpy.egg-info/PKG-INFO
src/dftpy.egg-info/SOURCES.txt
src/dftpy.egg-info/dependency_links.txt
src/dftpy.egg-info/requires.txt
src/dftpy.egg-info/top_level.txt
src/dftpy/api/__init__.py
src/dftpy/api/api4ase.py
src/dftpy/api/dftd4.py
src/dftpy/config/__init__.py
src/dftpy/config/config.py
src/dftpy/config/config_entry.py
src/dftpy/config/configentries.json
src/dftpy/cui/__init__.py
src/dftpy/cui/main.py
src/dftpy/density/__init__.py
src/dftpy/density/density.py
src/dftpy/formats/__init__.py
src/dftpy/formats/ase_io.py
src/dftpy/formats/chg.py
src/dftpy/formats/cube.py
src/dftpy/formats/den.py
src/dftpy/formats/io.py
src/dftpy/formats/npy.py
src/dftpy/formats/pmg_io.py
src/dftpy/formats/qepp.py
src/dftpy/formats/snpy.py
src/dftpy/formats/vasp.py
src/dftpy/formats/xsf.py
src/dftpy/formats/xyz.py
src/dftpy/functional/__init__.py
src/dftpy/functional/abstract_functional.py
src/dftpy/functional/external_potential.py
src/dftpy/functional/functional_output.py
src/dftpy/functional/hartree.py
src/dftpy/functional/semilocal_xc.py
src/dftpy/functional/total_functional.py
src/dftpy/functional/kedf/__init__.py
src/dftpy/functional/kedf/fp.py
src/dftpy/functional/kedf/gga.py
src/dftpy/functional/kedf/hc.py
src/dftpy/functional/kedf/kernel.py
src/dftpy/functional/kedf/lkt.py
src/dftpy/functional/kedf/lwt.py
src/dftpy/functional/kedf/mgp.py
src/dftpy/functional/kedf/sm.py
src/dftpy/functional/kedf/tf.py
src/dftpy/functional/kedf/vw.py
src/dftpy/functional/kedf/wt.py
src/dftpy/functional/nonadiabatic/__init__.py
src/dftpy/functional/nonadiabatic/jp.py
src/dftpy/functional/nonadiabatic/wcdhc.py
src/dftpy/functional/pseudo/__init__.py
src/dftpy/functional/pseudo/abstract_pseudo.py
src/dftpy/functional/pseudo/layer_pseudo.py
src/dftpy/functional/pseudo/psp.py
src/dftpy/functional/pseudo/recpot.py
src/dftpy/functional/pseudo/upf.py
src/dftpy/functional/pseudo/usp.py
src/dftpy/functional/pseudo/xml.py
src/dftpy/functional/xc/__init__.py
src/dftpy/functional/xc/rvv10.py
src/dftpy/functional/xc/semilocal_xc.py
src/dftpy/functional/xc/xc.json
src/dftpy/invert/__init__.py
src/dftpy/invert/analysis.py
src/dftpy/mixer/__init__.py
src/dftpy/mixer/linear.py
src/dftpy/mixer/mixer.py
src/dftpy/mixer/pulay.py
src/dftpy/mpi/__init__.py
src/dftpy/mpi/mp_mpi4py.py
src/dftpy/mpi/mp_serial.py
src/dftpy/mpi/mpi.py
src/dftpy/mpi/utils.py
src/dftpy/optimization/__init__.py
src/dftpy/optimization/optimization.py
src/dftpy/optimization/scf.py
src/dftpy/properties/__init__.py
src/dftpy/properties/potential.py
src/dftpy/td/__init__.py
src/dftpy/td/casida.py
src/dftpy/td/hamiltonian.py
src/dftpy/td/interface.py
src/dftpy/td/operator.py
src/dftpy/td/predictor_corrector.py
src/dftpy/td/real_time_runner.py
src/dftpy/td/utils.py
src/dftpy/td/propagator/__init__.py
src/dftpy/td/propagator/abstract_propagator.py
src/dftpy/td/propagator/crank_nicholson.py
src/dftpy/td/propagator/taylor.py
src/dftpy/utils/__init__.py
src/dftpy/utils/utils.py
src/dftpy/visualize/__init__.py
src/dftpy/visualize/ase_viewer.py
src/dftpy/visualize/ipv_viewer.py
src/dftpy/visualize/jupyter.py
src/dftpy/visualize/mpl_viewer.py
src/dftpy/visualize/vesta_viewer.py