ase.egg-info/*
ase/ase-talk.pdf
ase/gui/ag.png
doc/ase/Al_phonon.png
doc/ase/atomic_radii.png
doc/ase/Au-wire.ini
doc/ase/Au-wire.png
doc/ase/Au-wire.pov
doc/ase/build/a1.ini
doc/ase/build/a1.png
doc/ase/build/a1.pov
doc/ase/build/a2.ini
doc/ase/build/a2.png
doc/ase/build/a2.pov
doc/ase/build/a3.ini
doc/ase/build/a3.png
doc/ase/build/a3.pov
doc/ase/build/bcc100o.png
doc/ase/build/bcc100.png
doc/ase/build/bcc110o.png
doc/ase/build/bcc110.png
doc/ase/build/bcc111o.png
doc/ase/build/bcc111.png
doc/ase/build/bridge-site.png
doc/ase/build/cnt1.ini
doc/ase/build/cnt1.png
doc/ase/build/cnt1.pov
doc/ase/build/cnt2.ini
doc/ase/build/cnt2.png
doc/ase/build/cnt2.pov
doc/ase/build/diamond100o.png
doc/ase/build/diamond100.png
doc/ase/build/diamond111.png
doc/ase/build/fcc100o.png
doc/ase/build/fcc100.png
doc/ase/build/fcc110o.png
doc/ase/build/fcc110.png
doc/ase/build/fcc111o.png
doc/ase/build/fcc111.png
doc/ase/build/fcc111_root.png
doc/ase/build/fcc211o.png
doc/ase/build/fcc211.png
doc/ase/build/fcc-site.png
doc/ase/build/general_surface.pdf
doc/ase/build/gnr1.ini
doc/ase/build/gnr1.png
doc/ase/build/gnr1.pov
doc/ase/build/gnr2.ini
doc/ase/build/gnr2.png
doc/ase/build/gnr2.pov
doc/ase/build/graphene.png
doc/ase/build/hcp0001o.png
doc/ase/build/hcp0001.png
doc/ase/build/hcp10m10o.png
doc/ase/build/hcp10m10.png
doc/ase/build/hcp-site.png
doc/ase/build/hollow-site.png
doc/ase/build/mx2.png
doc/ase/build/ontop-site.png
doc/ase/build/s1.ini
doc/ase/build/s1.png
doc/ase/build/s1.pov
doc/ase/build/s2.ini
doc/ase/build/s2.png
doc/ase/build/s2.pov
doc/ase/build/s3.ini
doc/ase/build/s3.png
doc/ase/build/s3.pov
doc/ase/build/s4.ini
doc/ase/build/s4.png
doc/ase/build/s4.pov
doc/ase/calculators/vasp_si_bandstructure.png
doc/ase/cluster/culayer.ini
doc/ase/cluster/culayer.png
doc/ase/cluster/culayer.pov
doc/ase/cluster/truncated.ini
doc/ase/cluster/truncated.png
doc/ase/cluster/truncated.pov
doc/ase/db/abc.db
doc/ase/db/ase-db-long.txt
doc/ase/db/ase-db.txt
doc/ase/db/known-keys.csv
doc/ase/dft/00.CUB.svg
doc/ase/dft/01.FCC.svg
doc/ase/dft/02.BCC.svg
doc/ase/dft/03.TET.svg
doc/ase/dft/04.BCT1.svg
doc/ase/dft/05.BCT2.svg
doc/ase/dft/06.ORC.svg
doc/ase/dft/07.ORCF1.svg
doc/ase/dft/08.ORCF2.svg
doc/ase/dft/09.ORCF3.svg
doc/ase/dft/10.ORCI.svg
doc/ase/dft/11.ORCC.svg
doc/ase/dft/12.HEX.svg
doc/ase/dft/13.RHL1.svg
doc/ase/dft/14.RHL2.svg
doc/ase/dft/15.MCL.svg
doc/ase/dft/16.MCLC1.svg
doc/ase/dft/17.MCLC3.svg
doc/ase/dft/18.MCLC5.svg
doc/ase/dft/19.TRI1a.svg
doc/ase/dft/20.TRI1b.svg
doc/ase/dft/21.TRI2a.svg
doc/ase/dft/22.TRI2b.svg
doc/ase/dft/23.OBL.svg
doc/ase/dft/24.RECT.svg
doc/ase/dft/25.CRECT.svg
doc/ase/dft/26.HEX2D.svg
doc/ase/dft/27.SQR.svg
doc/ase/dft/28.LINE.svg
doc/ase/dft/bztable.rst
doc/ase/dft/cc.png
doc/ase/dft/cu.png
doc/ase/dft/dos.png
doc/ase/io/C2H4.ini
doc/ase/io/C2H4.png
doc/ase/io/C2H4.pov
doc/ase/io/formatoptions.rst
doc/ase/io/io1.png
doc/ase/io/io2.ini
doc/ase/io/io2.png
doc/ase/io/io2.pov
doc/ase/io/io3.ini
doc/ase/io/io3.png
doc/ase/io/io3.pov
doc/ase/io/io.csv
doc/ase/io/NaCl_C6H6.ini
doc/ase/io/NaCl_C6H6.png
doc/ase/io/NaCl_C6H6.pov
doc/ase/io/slab.traj
doc/ase/phasediagram/cuau.png
doc/ase/phasediagram/ktao-2d.png
doc/ase/phasediagram/ktao-3d.png
doc/ase/phasediagram/zno.png
doc/ase/phonon.mode.2.traj
doc/ase/precon.png
doc/ase/saxs.png
doc/ase/spacegroup/spacegroup-al.ini
doc/ase/spacegroup/spacegroup-al.png
doc/ase/spacegroup/spacegroup-al.pov
doc/ase/spacegroup/spacegroup-cosb3.ini
doc/ase/spacegroup/spacegroup-cosb3.png
doc/ase/spacegroup/spacegroup-cosb3.pov
doc/ase/spacegroup/spacegroup-diamond.ini
doc/ase/spacegroup/spacegroup-diamond.png
doc/ase/spacegroup/spacegroup-diamond.pov
doc/ase/spacegroup/spacegroup-fe.ini
doc/ase/spacegroup/spacegroup-fe.png
doc/ase/spacegroup/spacegroup-fe.pov
doc/ase/spacegroup/spacegroup-mg.ini
doc/ase/spacegroup/spacegroup-mg.png
doc/ase/spacegroup/spacegroup-mg.pov
doc/ase/spacegroup/spacegroup-nacl.ini
doc/ase/spacegroup/spacegroup-nacl.png
doc/ase/spacegroup/spacegroup-nacl.pov
doc/ase/spacegroup/spacegroup-rutile.ini
doc/ase/spacegroup/spacegroup-rutile.png
doc/ase/spacegroup/spacegroup-rutile.pov
doc/ase/spacegroup/spacegroup-skutterudite.ini
doc/ase/spacegroup/spacegroup-skutterudite.png
doc/ase/spacegroup/spacegroup-skutterudite.pov
doc/ase/thermochemistry/ethane.txt
doc/ase/thermochemistry/gold.txt
doc/ase/thermochemistry/nitrogen.txt
doc/ase/transport/transport_setup.ini
doc/ase/transport/transport_setup.png
doc/ase/transport/transport_setup.pov
doc/ase/visualize/matplotlib_plot_atoms1.png
doc/ase/visualize/matplotlib_plot_atoms2.png
doc/ase/visualize/matplotlib_plot_atoms3.png
doc/ase/visualize/mlab_options.txt
doc/ase/xrd.png
doc/gallery/o2pt100.ini
doc/gallery/o2pt100.png
doc/gallery/o2pt100.pov
doc/gallery/ptable.png
doc/gettingstarted/manipulating_atoms/a1.png
doc/gettingstarted/manipulating_atoms/a2.png
doc/gettingstarted/manipulating_atoms/a3.png
doc/gettingstarted/manipulating_atoms/interface-h2o-wrap.png
doc/gettingstarted/manipulating_atoms/Ni111slab2x2.png
doc/gettingstarted/manipulating_atoms/WL.png
doc/gettingstarted/manipulating_atoms/WL_rot_a.png
doc/gettingstarted/manipulating_atoms/WL_rot_c.png
doc/gettingstarted/manipulating_atoms/WL.traj
doc/gettingstarted/manipulating_atoms/WL_wrap.png
doc/gettingstarted/N2Cu.traj
doc/gettingstarted/surface.ini
doc/gettingstarted/surface.png
doc/gettingstarted/surface.pov
doc/tutorials/constraints/diffusion-path.ini
doc/tutorials/constraints/diffusion-path.png
doc/tutorials/constraints/diffusion-path.pov
doc/tutorials/constraints/mep0.traj
doc/tutorials/constraints/mep1.traj
doc/tutorials/constraints/mep2.traj
doc/tutorials/constraints/mep3.traj
doc/tutorials/constraints/mep4.traj
doc/tutorials/db/ads.db
doc/tutorials/db/bulk.db
doc/tutorials/db/cu1o.ini
doc/tutorials/db/cu1o.png
doc/tutorials/db/cu1o.pov
doc/tutorials/db/cu2o.ini
doc/tutorials/db/cu2o.png
doc/tutorials/db/cu2o.pov
doc/tutorials/db/cu3o.ini
doc/tutorials/db/cu3o.png
doc/tutorials/db/cu3o.pov
doc/tutorials/db/refs.db
doc/tutorials/defects/periodic-images-1.svg
doc/tutorials/defects/periodic-images-2.svg
doc/tutorials/defects/periodic-images-3.svg
doc/tutorials/defects/score-size-bcc2fcc.svg
doc/tutorials/defects/score-size-bcc2sc.svg
doc/tutorials/defects/score-size-fcc2fcc.svg
doc/tutorials/defects/score-size-fcc2sc.svg
doc/tutorials/defects/score-size-sc2fcc.svg
doc/tutorials/defects/score-size-sc2sc.svg
doc/tutorials/defects/supercell-1.svg
doc/tutorials/defects/supercell-2.svg
doc/tutorials/defects/supercell-3.svg
doc/tutorials/deltacodesdft/Ag.traj
doc/tutorials/deltacodesdft/Al.traj
doc/tutorials/deltacodesdft/Au.traj
doc/tutorials/deltacodesdft/B.csv
doc/tutorials/deltacodesdft/Bp.csv
doc/tutorials/deltacodesdft/Cu.traj
doc/tutorials/deltacodesdft/delta.csv
doc/tutorials/deltacodesdft/fit.json
doc/tutorials/deltacodesdft/Ni.traj
doc/tutorials/deltacodesdft/Pd.traj
doc/tutorials/deltacodesdft/Pt.png
doc/tutorials/deltacodesdft/Pt.traj
doc/tutorials/deltacodesdft/volume.csv
doc/tutorials/eos/Ag-eos.png
doc/tutorials/eos/Ag.traj
doc/tutorials/ga/hull.db
doc/tutorials/ga/hull.png
doc/tutorials/ga/hull.traj
doc/tutorials/jump1.traj
doc/tutorials/jump2.traj
doc/tutorials/jump3.traj
doc/tutorials/lattice_constant.csv
doc/tutorials/minimahopping/hop.log
doc/tutorials/minimahopping/md00001.log
doc/tutorials/minimahopping/md00001.traj
doc/tutorials/minimahopping/md00002.log
doc/tutorials/minimahopping/md00002.traj
doc/tutorials/minimahopping/md00003.log
doc/tutorials/minimahopping/md00003.traj
doc/tutorials/minimahopping/md00004.log
doc/tutorials/minimahopping/md00004.traj
doc/tutorials/minimahopping/md00005.log
doc/tutorials/minimahopping/md00005.traj
doc/tutorials/minimahopping/md00006.log
doc/tutorials/minimahopping/md00006.traj
doc/tutorials/minimahopping/md00007.log
doc/tutorials/minimahopping/md00007.traj
doc/tutorials/minimahopping/md00008.log
doc/tutorials/minimahopping/md00008.traj
doc/tutorials/minimahopping/md00009.log
doc/tutorials/minimahopping/md00009.traj
doc/tutorials/minimahopping/minima.traj
doc/tutorials/minimahopping/qn00000.log
doc/tutorials/minimahopping/qn00000.traj
doc/tutorials/minimahopping/qn00001.log
doc/tutorials/minimahopping/qn00001.traj
doc/tutorials/minimahopping/qn00002.log
doc/tutorials/minimahopping/qn00002.traj
doc/tutorials/minimahopping/qn00003.log
doc/tutorials/minimahopping/qn00003.traj
doc/tutorials/minimahopping/qn00004.log
doc/tutorials/minimahopping/qn00004.traj
doc/tutorials/minimahopping/qn00005.log
doc/tutorials/minimahopping/qn00005.traj
doc/tutorials/minimahopping/qn00006.log
doc/tutorials/minimahopping/qn00006.traj
doc/tutorials/minimahopping/qn00007.log
doc/tutorials/minimahopping/qn00007.traj
doc/tutorials/minimahopping/qn00008.log
doc/tutorials/minimahopping/qn00008.traj
doc/tutorials/minimahopping/qn00009.log
doc/tutorials/minimahopping/qn00009.traj
doc/tutorials/minimahopping/summary.png
doc/tutorials/neb/diffusion-barrier.png
doc/tutorials/neb/diffusion-F.ini
doc/tutorials/neb/diffusion-F.png
doc/tutorials/neb/diffusion-F.pov
doc/tutorials/neb/diffusion-I.ini
doc/tutorials/neb/diffusion-I.png
doc/tutorials/neb/diffusion-I.pov
doc/tutorials/neb/diffusion-T.ini
doc/tutorials/neb/diffusion-T.png
doc/tutorials/neb/diffusion-T.pov
doc/tutorials/neb/final.traj
doc/tutorials/neb/initial.traj
doc/tutorials/neb/neb_restart.traj
doc/tutorials/neb/neb.traj
doc/tutorials/nice.ini
doc/tutorials/nice.png
doc/tutorials/nice.pov
doc/tutorials/Ni.traj
doc/tutorials/selfdiffusion/Al110slab.ini
doc/tutorials/selfdiffusion/Al110slab.png
doc/tutorials/selfdiffusion/Al110slab.pov
doc/tutorials/test.txt
debian/ase.1
