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python-ase/1640.diff |
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python-ase/909a.diff |
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python-ase/909b.diff |
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python-ase/ase-3.22.1-SPECPARTS |
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python-ase/ase-3.22.1.tar.gz |
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python-ase/ase-gui.desktop |
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python-ase/ase256.png |
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python-ase/issues-580.diff |
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python-ase/python-ase-3.7.1.3184.pythonenv.patch |
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python-ase/python-ase-3.7.1.3184.svnversion_io.patch |
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python-ase/python-ase-3.8.1.3440.ase.cli.info.patch |
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python-ase/python-ase-3.8.1.3440.ase.cli.run.patch |
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python-ase/python-ase-3.8.1.3440.ase.gui.ag.patch |
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python-ase/python-ase.spec |
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python-ase/sources |
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python-ase/ase-3.22.1 |
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python-ase/ase-3.22.1/.flake8 |
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python-ase/ase-3.22.1/.gitlab-ci.yml |
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python-ase/ase-3.22.1/.mailmap |
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python-ase/ase-3.22.1/appveyor.yml |
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python-ase/ase-3.22.1/ase-gui.desktop |
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python-ase/ase-3.22.1/ase.png |
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python-ase/ase-3.22.1/CHANGELOG.rst |
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python-ase/ase-3.22.1/CONTRIBUTING.rst |
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python-ase/ase-3.22.1/COPYING |
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python-ase/ase-3.22.1/COPYING.LESSER |
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python-ase/ase-3.22.1/LICENSE |
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python-ase/ase-3.22.1/MANIFEST.in |
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python-ase/ase-3.22.1/mypy.ini |
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python-ase/ase-3.22.1/pytest.ini |
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python-ase/ase-3.22.1/README.rst |
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python-ase/ase-3.22.1/setup.py |
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python-ase/ase-3.22.1/ase |
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python-ase/ase-3.22.1/ase/__init__.py |
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python-ase/ase-3.22.1/ase/__main__.py |
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python-ase/ase-3.22.1/ase/atom.py |
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python-ase/ase-3.22.1/ase/atoms.py |
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python-ase/ase-3.22.1/ase/autoneb.py |
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python-ase/ase-3.22.1/ase/cell.py |
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python-ase/ase-3.22.1/ase/constraints.py |
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python-ase/ase-3.22.1/ase/dependencies.py |
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python-ase/ase-3.22.1/ase/dimer.py |
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python-ase/ase-3.22.1/ase/dyneb.py |
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python-ase/ase-3.22.1/ase/eos.py |
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python-ase/ase-3.22.1/ase/formula.py |
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python-ase/ase-3.22.1/ase/neb.py |
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python-ase/ase-3.22.1/ase/neighborlist.py |
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python-ase/ase-3.22.1/ase/nomad.py |
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python-ase/ase-3.22.1/ase/outputs.py |
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python-ase/ase-3.22.1/ase/parallel.py |
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python-ase/ase-3.22.1/ase/phasediagram.py |
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python-ase/ase-3.22.1/ase/phonons.py |
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python-ase/ase-3.22.1/ase/quaternions.py |
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python-ase/ase-3.22.1/ase/stress.py |
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python-ase/ase-3.22.1/ase/structure.py |
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python-ase/ase-3.22.1/ase/symbols.py |
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python-ase/ase-3.22.1/ase/thermochemistry.py |
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python-ase/ase-3.22.1/ase/units.py |
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python-ase/ase-3.22.1/ase/build |
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python-ase/ase-3.22.1/ase/build/__init__.py |
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python-ase/ase-3.22.1/ase/build/attach.py |
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python-ase/ase-3.22.1/ase/build/bulk.py |
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python-ase/ase-3.22.1/ase/build/connected.py |
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python-ase/ase-3.22.1/ase/build/general_surface.py |
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python-ase/ase-3.22.1/ase/build/molecule.py |
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python-ase/ase-3.22.1/ase/build/ribbon.py |
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python-ase/ase-3.22.1/ase/build/root.py |
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python-ase/ase-3.22.1/ase/build/rotate.py |
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python-ase/ase-3.22.1/ase/build/supercells.py |
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python-ase/ase-3.22.1/ase/build/surface.py |
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python-ase/ase-3.22.1/ase/build/surfaces_with_termination.py |
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python-ase/ase-3.22.1/ase/build/tools.py |
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python-ase/ase-3.22.1/ase/build/tube.py |
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python-ase/ase-3.22.1/ase/calculators |
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python-ase/ase-3.22.1/ase/calculators/__init__.py |
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python-ase/ase-3.22.1/ase/calculators/abc.py |
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python-ase/ase-3.22.1/ase/calculators/abinit.py |
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python-ase/ase-3.22.1/ase/calculators/acemolecule.py |
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python-ase/ase-3.22.1/ase/calculators/acn.py |
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python-ase/ase-3.22.1/ase/calculators/aims.py |
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python-ase/ase-3.22.1/ase/calculators/amber.py |
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python-ase/ase-3.22.1/ase/calculators/autodetect.py |
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python-ase/ase-3.22.1/ase/calculators/bond_polarizability.py |
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python-ase/ase-3.22.1/ase/calculators/calculator.py |
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python-ase/ase-3.22.1/ase/calculators/castep.py |
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python-ase/ase-3.22.1/ase/calculators/checkpoint.py |
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python-ase/ase-3.22.1/ase/calculators/combine_mm.py |
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python-ase/ase-3.22.1/ase/calculators/counterions.py |
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python-ase/ase-3.22.1/ase/calculators/cp2k.py |
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python-ase/ase-3.22.1/ase/calculators/crystal.py |
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python-ase/ase-3.22.1/ase/calculators/demonnano.py |
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python-ase/ase-3.22.1/ase/calculators/dftb.py |
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python-ase/ase-3.22.1/ase/calculators/dftd3.py |
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python-ase/ase-3.22.1/ase/calculators/dmol.py |
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python-ase/ase-3.22.1/ase/calculators/eam.py |
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python-ase/ase-3.22.1/ase/calculators/elk.py |
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python-ase/ase-3.22.1/ase/calculators/emt.py |
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python-ase/ase-3.22.1/ase/calculators/espresso.py |
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python-ase/ase-3.22.1/ase/calculators/excitation_list.py |
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python-ase/ase-3.22.1/ase/calculators/exciting.py |
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python-ase/ase-3.22.1/ase/calculators/ff.py |
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python-ase/ase-3.22.1/ase/calculators/fleur.py |
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python-ase/ase-3.22.1/ase/calculators/gamess_us.py |
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python-ase/ase-3.22.1/ase/calculators/gaussian.py |
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python-ase/ase-3.22.1/ase/calculators/general.py |
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python-ase/ase-3.22.1/ase/calculators/gromacs.py |
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python-ase/ase-3.22.1/ase/calculators/gulp.py |
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python-ase/ase-3.22.1/ase/calculators/h2morse.py |
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python-ase/ase-3.22.1/ase/calculators/harmonic.py |
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python-ase/ase-3.22.1/ase/calculators/idealgas.py |
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python-ase/ase-3.22.1/ase/calculators/singlepoint.py |
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python-ase/ase-3.22.1/ase/calculators/socketio.py |
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python-ase/ase-3.22.1/ase/calculators/kim |
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python-ase/ase-3.22.1/ase/calculators/kim/exceptions.py |
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python-ase/ase-3.22.1/ase/calculators/lammps/unitconvert.py |
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python-ase/ase-3.22.1/ase/calculators/openmx |
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python-ase/ase-3.22.1/ase/calculators/openmx/default_settings.py |
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python-ase/ase-3.22.1/ase/calculators/siesta |
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python-ase/ase-3.22.1/ase/calculators/siesta/__init__.py |
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python-ase/ase-3.22.1/ase/calculators/siesta/base_siesta.py |
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python-ase/ase-3.22.1/ase/calculators/siesta/siesta.py |
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python-ase/ase-3.22.1/ase/data |
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python-ase/ase-3.22.1/ase/data/__init__.py |
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python-ase/ase-3.22.1/ase/data/cccbdb_ip.py |
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python-ase/ase-3.22.1/ase/data/dbh24.py |
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python-ase/ase-3.22.1/ase/data/extra_molecules.py |
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python-ase/ase-3.22.1/ase/data/g2.py |
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python-ase/ase-3.22.1/ase/data/isotopes.py |
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python-ase/ase-3.22.1/ase/data/vdw.py |
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python-ase/ase-3.22.1/ase/data/vdw_alvarez.py |
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python-ase/ase-3.22.1/ase/db |
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python-ase/ase-3.22.1/ase/db/__init__.py |
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python-ase/ase-3.22.1/ase/db/cli.py |
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python-ase/ase-3.22.1/ase/db/core.py |
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python-ase/ase-3.22.1/ase/db/jsondb.py |
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python-ase/ase-3.22.1/ase/db/mysql.py |
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python-ase/ase-3.22.1/ase/db/postgresql.py |
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python-ase/ase-3.22.1/ase/db/row.py |
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python-ase/ase-3.22.1/ase/db/sqlite.py |
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python-ase/ase-3.22.1/ase/db/web.py |
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python-ase/ase-3.22.1/ase/db/static |
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python-ase/ase-3.22.1/ase/db/static/row.js |
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python-ase/ase-3.22.1/ase/db/static/search.js |
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python-ase/ase-3.22.1/ase/db/static/style.css |
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python-ase/ase-3.22.1/ase/db/templates |
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python-ase/ase-3.22.1/ase/db/templates/js.html |
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python-ase/ase-3.22.1/ase/db/templates/layout.html |
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python-ase/ase-3.22.1/ase/db/templates/row.html |
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python-ase/ase-3.22.1/ase/db/templates/style.html |
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python-ase/ase-3.22.1/ase/db/templates/table.html |
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python-ase/ase-3.22.1/ase/dft |
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python-ase/ase-3.22.1/ase/dft/__init__.py |
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python-ase/ase-3.22.1/ase/dft/band_structure.py |
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python-ase/ase-3.22.1/ase/dft/bandgap.py |
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python-ase/ase-3.22.1/ase/dft/wannier.py |
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python-ase/ase-3.22.1/ase/ga |
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python-ase/ase-3.22.1/ase/ga/__init__.py |
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python-ase/ase-3.22.1/ase/ga/element_mutations.py |
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python-ase/ase-3.22.1/ase/ga/ofp_comparator.py |
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python-ase/ase-3.22.1/ase/ga/parallellocalrun.py |
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python-ase/ase-3.22.1/ase/ga/particle_comparator.py |
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python-ase/ase-3.22.1/ase/ga/particle_crossovers.py |
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python-ase/ase-3.22.1/ase/ga/particle_mutations.py |
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python-ase/ase-3.22.1/ase/ga/pbs_queue_run.py |
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python-ase/ase-3.22.1/ase/ga/population.py |
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python-ase/ase-3.22.1/ase/ga/relax_attaches.py |
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python-ase/ase-3.22.1/ase/ga/slab_operators.py |
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python-ase/ase-3.22.1/ase/ga/soft_mutation.py |
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python-ase/ase-3.22.1/ase/ga/standard_comparators.py |
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python-ase/ase-3.22.1/ase/ga/standardmutations.py |
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python-ase/ase-3.22.1/ase/ga/startgenerator.py |
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python-ase/ase-3.22.1/ase/ga/utilities.py |
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python-ase/ase-3.22.1/ase/ga/tools |
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python-ase/ase-3.22.1/ase/geometry |
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python-ase/ase-3.22.1/ase/geometry/__init__.py |
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python-ase/ase-3.22.1/ase/geometry/bravais_type_engine.py |
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python-ase/ase-3.22.1/ase/geometry/cell.py |
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python-ase/ase-3.22.1/ase/geometry/distance.py |
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python-ase/ase-3.22.1/ase/geometry/minkowski_reduction.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/__init__.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/bond_generator.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/disjoint_set.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/interval_analysis.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/rank_determination.py |
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python-ase/ase-3.22.1/ase/geometry/dimensionality/topology_scaling.py |
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python-ase/ase-3.22.1/ase/gui |
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python-ase/ase-3.22.1/ase/gui/add.py |
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python-ase/ase-3.22.1/ase/gui/celleditor.py |
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python-ase/ase-3.22.1/ase/test/calculator/test_bond_polarizability.py |
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python-ase/ase-3.22.1/ase/test/calculator/elk |
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python-ase/ase-3.22.1/ase/test/calculator/espresso |
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python-ase/ase-3.22.1/ase/test/calculator/fleur |
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python-ase/ase-3.22.1/ase/test/calculator/fleur/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/fleur/test_fleur_cmdline.py |
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python-ase/ase-3.22.1/ase/test/calculator/gaussian |
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python-ase/ase-3.22.1/ase/test/calculator/gaussian/test_h2of.py |
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python-ase/ase-3.22.1/ase/test/calculator/gaussian/test_water.py |
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python-ase/ase-3.22.1/ase/test/calculator/gpaw_ |
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python-ase/ase-3.22.1/ase/test/calculator/gpaw_/test_read_text_output.py |
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python-ase/ase-3.22.1/ase/test/calculator/gromacs |
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python-ase/ase-3.22.1/ase/test/calculator/kim |
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python-ase/ase-3.22.1/ase/test/calculator/kim/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/kim/test_cutoff_skin.py |
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python-ase/ase-3.22.1/ase/test/calculator/kim/test_energy_forces_stress.py |
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python-ase/ase-3.22.1/ase/test/calculator/kim/test_multi_neighlist.py |
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python-ase/ase-3.22.1/ase/test/calculator/kim/test_relax.py |
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python-ase/ase-3.22.1/ase/test/calculator/kim/test_update_coords.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpslib |
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python-ase/ase-3.22.1/ase/test/calculator/lammpslib/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpsrun |
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python-ase/ase-3.22.1/ase/test/calculator/lammpsrun/test_Ar_minimize.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpsrun/test_NaCl_minimize.py |
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python-ase/ase-3.22.1/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py |
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python-ase/ase-3.22.1/ase/test/calculator/nwchem |
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python-ase/ase-3.22.1/ase/test/calculator/octopus |
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python-ase/ase-3.22.1/ase/test/calculator/octopus/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/octopus/test_big.py |
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python-ase/ase-3.22.1/ase/test/calculator/onetep |
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python-ase/ase-3.22.1/ase/test/calculator/openmx |
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python-ase/ase-3.22.1/ase/test/calculator/psi4 |
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python-ase/ase-3.22.1/ase/test/calculator/psi4/test_psi4_HF_3_21G.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/test_fdf_io.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/test_siesta.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/test_siesta_zmat.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/lrtddft |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/lrtddft/__init__.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py |
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python-ase/ase-3.22.1/ase/test/calculator/siesta/lrtddft/raman_espresso/co2.dm.in |
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python-ase/ase-3.22.1/ase/test/testdata |
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python-ase/ase-3.22.1/ase/test/testdata/172_defs.par |
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python-ase/ase-3.22.1/ase/test/testdata/eam_Pt_u3.dat |
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python-ase/ase-3.22.1/ase/test/testdata/gpaw_expected_text_output |
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python-ase/ase-3.22.1/ase/test/testdata/lammpsdata_input.data |
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python-ase/ase-3.22.1/ase/test/testdata/lammpslib_simple_input.data |
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python-ase/ase-3.22.1/ase/test/testdata/nomad-images.nomad-json |
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python-ase/ase-3.22.1/ase/test/testdata/opls_structure_ext.xyz |
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python-ase/ase-3.22.1/ase/test/testdata/qbox_04_md_ntc.reference.xml |
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python-ase/ase-3.22.1/ase/test/testdata/qbox_test.xml |
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python-ase/ase-3.22.1/ase/test/testdata/vasp |
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python-ase/ase-3.22.1/ase/test/testdata/vasp/OUTCAR_example_1 |
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python-ase/ase-3.22.1/ase/test/testdata/vasp/POSCAR_example_1 |
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python-ase/ase-3.22.1/ase/test/transport |
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python-ase/ase-3.22.1/ase/test/transport/__init__.py |
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python-ase/ase-3.22.1/ase/test/transport/test_transport_calculator.py |
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python-ase/ase-3.22.1/ase/test/vibrations |
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python-ase/ase-3.22.1/ase/test/vibrations/__init__.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_albrecht.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_bond_polarizability_raman.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_combine.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_folding.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_franck_condon.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_pickle2json.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_placzek.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_profeta_albrecht.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_vib.py |
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python-ase/ase-3.22.1/ase/test/vibrations/test_vibrations_example.py |
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python-ase/ase-3.22.1/ase/transport |
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python-ase/ase-3.22.1/ase/transport/__init__.py |
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python-ase/ase-3.22.1/ase/transport/calculators.py |
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python-ase/ase-3.22.1/ase/transport/greenfunction.py |
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python-ase/ase-3.22.1/ase/transport/selfenergy.py |
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python-ase/ase-3.22.1/ase/transport/stm.py |
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python-ase/ase-3.22.1/ase/transport/tools.py |
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python-ase/ase-3.22.1/ase/utils |
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python-ase/ase-3.22.1/ase/utils/__init__.py |
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python-ase/ase-3.22.1/ase/utils/arraywrapper.py |
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python-ase/ase-3.22.1/ase/utils/bee.py |
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python-ase/ase-3.22.1/ase/utils/build_web_page.py |
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python-ase/ase-3.22.1/ase/utils/cext.py |
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python-ase/ase-3.22.1/ase/utils/deltacodesdft.py |
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python-ase/ase-3.22.1/ase/utils/distance.py |
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python-ase/ase-3.22.1/ase/utils/eos.py |
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python-ase/ase-3.22.1/ase/utils/extrapolate.py |
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python-ase/ase-3.22.1/ase/utils/ff.py |
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python-ase/ase-3.22.1/ase/utils/filecache.py |
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python-ase/ase-3.22.1/ase/utils/forcecurve.py |
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python-ase/ase-3.22.1/ase/utils/geometry.py |
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python-ase/ase-3.22.1/ase/utils/linesearch.py |
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python-ase/ase-3.22.1/ase/utils/linesearcharmijo.py |
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python-ase/ase-3.22.1/ase/utils/newrelease.py |
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python-ase/ase-3.22.1/ase/utils/parsemath.py |
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python-ase/ase-3.22.1/ase/utils/plotting.py |
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python-ase/ase-3.22.1/ase/utils/sphinx.py |
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python-ase/ase-3.22.1/ase/utils/structure_comparator.py |
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python-ase/ase-3.22.1/ase/utils/timing.py |
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python-ase/ase-3.22.1/ase/utils/xrdebye.py |
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python-ase/ase-3.22.1/ase/vibrations |
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python-ase/ase-3.22.1/ase/vibrations/__init__.py |
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python-ase/ase-3.22.1/ase/vibrations/albrecht.py |
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python-ase/ase-3.22.1/ase/vibrations/data.py |
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python-ase/ase-3.22.1/ase/vibrations/franck_condon.py |
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python-ase/ase-3.22.1/ase/vibrations/infrared.py |
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python-ase/ase-3.22.1/ase/vibrations/pickle2json.py |
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python-ase/ase-3.22.1/ase/vibrations/placzek.py |
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python-ase/ase-3.22.1/ase/vibrations/raman.py |
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python-ase/ase-3.22.1/ase/vibrations/resonant_raman.py |
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python-ase/ase-3.22.1/ase/vibrations/vibrations.py |
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python-ase/ase-3.22.1/ase/visualize |
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python-ase/ase-3.22.1/ase/visualize/__init__.py |
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python-ase/ase-3.22.1/ase/visualize/external.py |
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python-ase/ase-3.22.1/ase/visualize/mlab.py |
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python-ase/ase-3.22.1/ase/visualize/ngl.py |
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python-ase/ase-3.22.1/ase/visualize/paraview_script.py |
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python-ase/ase-3.22.1/ase/visualize/plot.py |
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python-ase/ase-3.22.1/ase/visualize/sage.py |
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python-ase/ase-3.22.1/ase/visualize/x3d.py |
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python-ase/ase-3.22.1/bin |
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python-ase/ase-3.22.1/bin/ase |
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python-ase/ase-3.22.1/tools |
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python-ase/ase-3.22.1/tools/ase-build |
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python-ase/ase-3.22.1/tools/ase-db |
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python-ase/ase-3.22.1/tools/ase-gui |
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python-ase/ase-3.22.1/tools/ase-info |
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python-ase/ase-3.22.1/tools/ase-run |
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