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Import py26-ase-3.4.1.1765 as wip/py-ase.

Browse source 
ASE is a python package providing an open source Atomic Simulation
Environment in the python scripting language
This commit is contained in:
Kamel Ibn Aziz Derouiche 2011-01-17 22:01:18 +00:00 committed by Thomas Klausner
parent 46a64201a0
commit 63abccc2ca
5 changed files with 795 additions and 0 deletions
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py-ase/DESCR Normal file
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ASE is a python package providing an open source Atomic Simulation
Environment in the python scripting language

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py-ase/Makefile Normal file
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# $NetBSD: Makefile,v 1.1.1.1 2011/01/17 22:01:18 jihbed Exp $
#
DISTNAME= python-ase-3.4.1.1765
PKGNAME= ${PYPKGPREFIX}-${DISTNAME:S/python-//}
CATEGORIES= biology python
MASTER_SITES= https://wiki.fysik.dtu.dk/ase-files/
MAINTAINER= jihbed.research@gmail.com
HOMEPAGE= https://wiki.fysik.dtu.dk/ase/
COMMENT= Atomic Simulation Environment
LICENSE= gnu-lgpl-v2.1
PKG_DESTDIR_SUPPORT= user-destdir
FETCH_USING= wget
FETCH_BEFORE_ARGS= --no-check-certificate
USE_LANGUAGES= # none
PYTHON_VERSIONS_ACCEPTED= 26 25 24
PYDISTUTILSPKG= yes
.include "../../devel/py-ctypes/buildlink3.mk"
.include "../../devel/pango/buildlink3.mk"
.include "../../devel/py-gobject/buildlink3.mk"
.include "../../graphics/py-matplotlib/buildlink3.mk"
.include "../../lang/python/extension.mk"
.include "../../math/py-Numeric/buildlink3.mk"
.include "../../math/py-numpy/buildlink3.mk"
#.include "../../x11/py-gtk2/buildlink3.mk"
.include "../../mk/bsd.pkg.mk"

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py-ase/PLIST Normal file
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@comment $NetBSD: PLIST,v 1.1.1.1 2011/01/17 22:01:18 jihbed Exp $
bin/ASE2ase.py
bin/ag
bin/testase.py
${PYSITELIB}/ase/__init__.py
${PYSITELIB}/ase/__init__.pyc
${PYSITELIB}/ase/__init__.pyo
${PYSITELIB}/ase/all.py
${PYSITELIB}/ase/all.pyc
${PYSITELIB}/ase/all.pyo
${PYSITELIB}/ase/atom.py
${PYSITELIB}/ase/atom.pyc
${PYSITELIB}/ase/atom.pyo
${PYSITELIB}/ase/atoms.py
${PYSITELIB}/ase/atoms.pyc
${PYSITELIB}/ase/atoms.pyo
${PYSITELIB}/ase/calculators/__init__.py
${PYSITELIB}/ase/calculators/__init__.pyc
${PYSITELIB}/ase/calculators/__init__.pyo
${PYSITELIB}/ase/calculators/abinit.py
${PYSITELIB}/ase/calculators/abinit.pyc
${PYSITELIB}/ase/calculators/abinit.pyo
${PYSITELIB}/ase/calculators/aims.py
${PYSITELIB}/ase/calculators/aims.pyc
${PYSITELIB}/ase/calculators/aims.pyo
${PYSITELIB}/ase/calculators/dacapo.py
${PYSITELIB}/ase/calculators/dacapo.pyc
${PYSITELIB}/ase/calculators/dacapo.pyo
${PYSITELIB}/ase/calculators/dftb.py
${PYSITELIB}/ase/calculators/dftb.pyc
${PYSITELIB}/ase/calculators/dftb.pyo
${PYSITELIB}/ase/calculators/elk.py
${PYSITELIB}/ase/calculators/elk.pyc
${PYSITELIB}/ase/calculators/elk.pyo
${PYSITELIB}/ase/calculators/emt.py
${PYSITELIB}/ase/calculators/emt.pyc
${PYSITELIB}/ase/calculators/emt.pyo
${PYSITELIB}/ase/calculators/exciting.py
${PYSITELIB}/ase/calculators/exciting.pyc
${PYSITELIB}/ase/calculators/exciting.pyo
${PYSITELIB}/ase/calculators/fleur.py
${PYSITELIB}/ase/calculators/fleur.pyc
${PYSITELIB}/ase/calculators/fleur.pyo
${PYSITELIB}/ase/calculators/general.py
${PYSITELIB}/ase/calculators/general.pyc
${PYSITELIB}/ase/calculators/general.pyo
${PYSITELIB}/ase/calculators/interface.py
${PYSITELIB}/ase/calculators/interface.pyc
${PYSITELIB}/ase/calculators/interface.pyo
${PYSITELIB}/ase/calculators/jacapo/__init__.py
${PYSITELIB}/ase/calculators/jacapo/__init__.pyc
${PYSITELIB}/ase/calculators/jacapo/__init__.pyo
${PYSITELIB}/ase/calculators/jacapo/changed.py
${PYSITELIB}/ase/calculators/jacapo/changed.pyc
${PYSITELIB}/ase/calculators/jacapo/changed.pyo
${PYSITELIB}/ase/calculators/jacapo/jacapo.py
${PYSITELIB}/ase/calculators/jacapo/jacapo.pyc
${PYSITELIB}/ase/calculators/jacapo/jacapo.pyo
${PYSITELIB}/ase/calculators/jacapo/lda_psp.py
${PYSITELIB}/ase/calculators/jacapo/lda_psp.pyc
${PYSITELIB}/ase/calculators/jacapo/lda_psp.pyo
${PYSITELIB}/ase/calculators/jacapo/mayavis.py
${PYSITELIB}/ase/calculators/jacapo/mayavis.pyc
${PYSITELIB}/ase/calculators/jacapo/mayavis.pyo
${PYSITELIB}/ase/calculators/jacapo/pbe_psp.py
${PYSITELIB}/ase/calculators/jacapo/pbe_psp.pyc
${PYSITELIB}/ase/calculators/jacapo/pbe_psp.pyo
${PYSITELIB}/ase/calculators/jacapo/pw91_psp.py
${PYSITELIB}/ase/calculators/jacapo/pw91_psp.pyc
${PYSITELIB}/ase/calculators/jacapo/pw91_psp.pyo
${PYSITELIB}/ase/calculators/jacapo/setup.py
${PYSITELIB}/ase/calculators/jacapo/setup.pyc
${PYSITELIB}/ase/calculators/jacapo/setup.pyo
${PYSITELIB}/ase/calculators/jacapo/validate.py
${PYSITELIB}/ase/calculators/jacapo/validate.pyc
${PYSITELIB}/ase/calculators/jacapo/validate.pyo
${PYSITELIB}/ase/calculators/jacapo/version.py
${PYSITELIB}/ase/calculators/jacapo/version.pyc
${PYSITELIB}/ase/calculators/jacapo/version.pyo
${PYSITELIB}/ase/calculators/lj.py
${PYSITELIB}/ase/calculators/lj.pyc
${PYSITELIB}/ase/calculators/lj.pyo
${PYSITELIB}/ase/calculators/morse.py
${PYSITELIB}/ase/calculators/morse.pyc
${PYSITELIB}/ase/calculators/morse.pyo
${PYSITELIB}/ase/calculators/neighborlist.py
${PYSITELIB}/ase/calculators/neighborlist.pyc
${PYSITELIB}/ase/calculators/neighborlist.pyo
${PYSITELIB}/ase/calculators/siesta.py
${PYSITELIB}/ase/calculators/siesta.pyc
${PYSITELIB}/ase/calculators/siesta.pyo
${PYSITELIB}/ase/calculators/singlepoint.py
${PYSITELIB}/ase/calculators/singlepoint.pyc
${PYSITELIB}/ase/calculators/singlepoint.pyo
${PYSITELIB}/ase/calculators/test.py
${PYSITELIB}/ase/calculators/test.pyc
${PYSITELIB}/ase/calculators/test.pyo
${PYSITELIB}/ase/calculators/tip3p.py
${PYSITELIB}/ase/calculators/tip3p.pyc
${PYSITELIB}/ase/calculators/tip3p.pyo
${PYSITELIB}/ase/calculators/turbomole.py
${PYSITELIB}/ase/calculators/turbomole.pyc
${PYSITELIB}/ase/calculators/turbomole.pyo
${PYSITELIB}/ase/calculators/vasp.py
${PYSITELIB}/ase/calculators/vasp.pyc
${PYSITELIB}/ase/calculators/vasp.pyo
${PYSITELIB}/ase/constraints.py
${PYSITELIB}/ase/constraints.pyc
${PYSITELIB}/ase/constraints.pyo
${PYSITELIB}/ase/data/__init__.py
${PYSITELIB}/ase/data/__init__.pyc
${PYSITELIB}/ase/data/__init__.pyo
${PYSITELIB}/ase/data/colors.py
${PYSITELIB}/ase/data/colors.pyc
${PYSITELIB}/ase/data/colors.pyo
${PYSITELIB}/ase/data/molecules.py
${PYSITELIB}/ase/data/molecules.pyc
${PYSITELIB}/ase/data/molecules.pyo
${PYSITELIB}/ase/dft/__init__.py
${PYSITELIB}/ase/dft/__init__.pyc
${PYSITELIB}/ase/dft/__init__.pyo
${PYSITELIB}/ase/dft/dos.py
${PYSITELIB}/ase/dft/dos.pyc
${PYSITELIB}/ase/dft/dos.pyo
${PYSITELIB}/ase/dft/kpoints.py
${PYSITELIB}/ase/dft/kpoints.pyc
${PYSITELIB}/ase/dft/kpoints.pyo
${PYSITELIB}/ase/dft/stm.py
${PYSITELIB}/ase/dft/stm.pyc
${PYSITELIB}/ase/dft/stm.pyo
${PYSITELIB}/ase/dft/wannier.py
${PYSITELIB}/ase/dft/wannier.pyc
${PYSITELIB}/ase/dft/wannier.pyo
${PYSITELIB}/ase/examples/Al100.py
${PYSITELIB}/ase/examples/Al100.pyc
${PYSITELIB}/ase/examples/Al100.pyo
${PYSITELIB}/ase/examples/COCu111.py
${PYSITELIB}/ase/examples/COCu111.pyc
${PYSITELIB}/ase/examples/COCu111.pyo
${PYSITELIB}/ase/examples/Pt_island.py
${PYSITELIB}/ase/examples/Pt_island.pyc
${PYSITELIB}/ase/examples/Pt_island.pyo
${PYSITELIB}/ase/examples/neb1.py
${PYSITELIB}/ase/examples/neb1.pyc
${PYSITELIB}/ase/examples/neb1.pyo
${PYSITELIB}/ase/examples/plot-ase-atoms.py
${PYSITELIB}/ase/examples/plot-ase-atoms.pyc
${PYSITELIB}/ase/examples/plot-ase-atoms.pyo
${PYSITELIB}/ase/examples/stm.py
${PYSITELIB}/ase/examples/stm.pyc
${PYSITELIB}/ase/examples/stm.pyo
${PYSITELIB}/ase/gui/__init__.py
${PYSITELIB}/ase/gui/__init__.pyc
${PYSITELIB}/ase/gui/__init__.pyo
${PYSITELIB}/ase/gui/ag.py
${PYSITELIB}/ase/gui/ag.pyc
${PYSITELIB}/ase/gui/ag.pyo
${PYSITELIB}/ase/gui/bulk_modulus.py
${PYSITELIB}/ase/gui/bulk_modulus.pyc
${PYSITELIB}/ase/gui/bulk_modulus.pyo
${PYSITELIB}/ase/gui/calculator.py
${PYSITELIB}/ase/gui/calculator.pyc
${PYSITELIB}/ase/gui/calculator.pyo
${PYSITELIB}/ase/gui/constraints.py
${PYSITELIB}/ase/gui/constraints.pyc
${PYSITELIB}/ase/gui/constraints.pyo
${PYSITELIB}/ase/gui/debug.py
${PYSITELIB}/ase/gui/debug.pyc
${PYSITELIB}/ase/gui/debug.pyo
${PYSITELIB}/ase/gui/dft.py
${PYSITELIB}/ase/gui/dft.pyc
${PYSITELIB}/ase/gui/dft.pyo
${PYSITELIB}/ase/gui/energyforces.py
${PYSITELIB}/ase/gui/energyforces.pyc
${PYSITELIB}/ase/gui/energyforces.pyo
${PYSITELIB}/ase/gui/execute.py
${PYSITELIB}/ase/gui/execute.pyc
${PYSITELIB}/ase/gui/execute.pyo
${PYSITELIB}/ase/gui/graphene.py
${PYSITELIB}/ase/gui/graphene.pyc
${PYSITELIB}/ase/gui/graphene.pyo
${PYSITELIB}/ase/gui/graphs.py
${PYSITELIB}/ase/gui/graphs.pyc
${PYSITELIB}/ase/gui/graphs.pyo
${PYSITELIB}/ase/gui/gtkexcepthook.py
${PYSITELIB}/ase/gui/gtkexcepthook.pyc
${PYSITELIB}/ase/gui/gtkexcepthook.pyo
${PYSITELIB}/ase/gui/gui.py
${PYSITELIB}/ase/gui/gui.pyc
${PYSITELIB}/ase/gui/gui.pyo
${PYSITELIB}/ase/gui/images.py
${PYSITELIB}/ase/gui/images.pyc
${PYSITELIB}/ase/gui/images.pyo
${PYSITELIB}/ase/gui/languages/__init__.py
${PYSITELIB}/ase/gui/languages/__init__.pyc
${PYSITELIB}/ase/gui/languages/__init__.pyo
${PYSITELIB}/ase/gui/languages/da.py
${PYSITELIB}/ase/gui/languages/da.pyc
${PYSITELIB}/ase/gui/languages/da.pyo
${PYSITELIB}/ase/gui/languages/en.py
${PYSITELIB}/ase/gui/languages/en.pyc
${PYSITELIB}/ase/gui/languages/en.pyo
${PYSITELIB}/ase/gui/minimize.py
${PYSITELIB}/ase/gui/minimize.pyc
${PYSITELIB}/ase/gui/minimize.pyo
${PYSITELIB}/ase/gui/movie.py
${PYSITELIB}/ase/gui/movie.pyc
${PYSITELIB}/ase/gui/movie.pyo
${PYSITELIB}/ase/gui/nanoparticle.py
${PYSITELIB}/ase/gui/nanoparticle.pyc
${PYSITELIB}/ase/gui/nanoparticle.pyo
${PYSITELIB}/ase/gui/nanotube.py
${PYSITELIB}/ase/gui/nanotube.pyc
${PYSITELIB}/ase/gui/nanotube.pyo
${PYSITELIB}/ase/gui/neb.py
${PYSITELIB}/ase/gui/neb.pyc
${PYSITELIB}/ase/gui/neb.pyo
${PYSITELIB}/ase/gui/progress.py
${PYSITELIB}/ase/gui/progress.pyc
${PYSITELIB}/ase/gui/progress.pyo
${PYSITELIB}/ase/gui/pybutton.py
${PYSITELIB}/ase/gui/pybutton.pyc
${PYSITELIB}/ase/gui/pybutton.pyo
${PYSITELIB}/ase/gui/repeat.py
${PYSITELIB}/ase/gui/repeat.pyc
${PYSITELIB}/ase/gui/repeat.pyo
${PYSITELIB}/ase/gui/rot_tools.py
${PYSITELIB}/ase/gui/rot_tools.pyc
${PYSITELIB}/ase/gui/rot_tools.pyo
${PYSITELIB}/ase/gui/rotate.py
${PYSITELIB}/ase/gui/rotate.pyc
${PYSITELIB}/ase/gui/rotate.pyo
${PYSITELIB}/ase/gui/scaling.py
${PYSITELIB}/ase/gui/scaling.pyc
${PYSITELIB}/ase/gui/scaling.pyo
${PYSITELIB}/ase/gui/settings.py
${PYSITELIB}/ase/gui/settings.pyc
${PYSITELIB}/ase/gui/settings.pyo
${PYSITELIB}/ase/gui/setupwindow.py
${PYSITELIB}/ase/gui/setupwindow.pyc
${PYSITELIB}/ase/gui/setupwindow.pyo
${PYSITELIB}/ase/gui/simulation.py
${PYSITELIB}/ase/gui/simulation.pyc
${PYSITELIB}/ase/gui/simulation.pyo
${PYSITELIB}/ase/gui/status.py
${PYSITELIB}/ase/gui/status.pyc
${PYSITELIB}/ase/gui/status.pyo
${PYSITELIB}/ase/gui/surfaceslab.py
${PYSITELIB}/ase/gui/surfaceslab.pyc
${PYSITELIB}/ase/gui/surfaceslab.pyo
${PYSITELIB}/ase/gui/view.py
${PYSITELIB}/ase/gui/view.pyc
${PYSITELIB}/ase/gui/view.pyo
${PYSITELIB}/ase/gui/widgets.py
${PYSITELIB}/ase/gui/widgets.pyc
${PYSITELIB}/ase/gui/widgets.pyo
${PYSITELIB}/ase/infrared.py
${PYSITELIB}/ase/infrared.pyc
${PYSITELIB}/ase/infrared.pyo
${PYSITELIB}/ase/io/__init__.py
${PYSITELIB}/ase/io/__init__.pyc
${PYSITELIB}/ase/io/__init__.pyo
${PYSITELIB}/ase/io/aims.py
${PYSITELIB}/ase/io/aims.pyc
${PYSITELIB}/ase/io/aims.pyo
${PYSITELIB}/ase/io/ascii.py
${PYSITELIB}/ase/io/ascii.pyc
${PYSITELIB}/ase/io/ascii.pyo
${PYSITELIB}/ase/io/bader.py
${PYSITELIB}/ase/io/bader.pyc
${PYSITELIB}/ase/io/bader.pyo
${PYSITELIB}/ase/io/cfg.py
${PYSITELIB}/ase/io/cfg.pyc
${PYSITELIB}/ase/io/cfg.pyo
${PYSITELIB}/ase/io/cif.py
${PYSITELIB}/ase/io/cif.pyc
${PYSITELIB}/ase/io/cif.pyo
${PYSITELIB}/ase/io/cmdft.py
${PYSITELIB}/ase/io/cmdft.pyc
${PYSITELIB}/ase/io/cmdft.pyo
${PYSITELIB}/ase/io/cube.py
${PYSITELIB}/ase/io/cube.pyc
${PYSITELIB}/ase/io/cube.pyo
${PYSITELIB}/ase/io/dacapo.py
${PYSITELIB}/ase/io/dacapo.pyc
${PYSITELIB}/ase/io/dacapo.pyo
${PYSITELIB}/ase/io/dftb.py
${PYSITELIB}/ase/io/dftb.pyc
${PYSITELIB}/ase/io/dftb.pyo
${PYSITELIB}/ase/io/eps.py
${PYSITELIB}/ase/io/eps.pyc
${PYSITELIB}/ase/io/eps.pyo
${PYSITELIB}/ase/io/exciting.py
${PYSITELIB}/ase/io/exciting.pyc
${PYSITELIB}/ase/io/exciting.pyo
${PYSITELIB}/ase/io/gpawtext.py
${PYSITELIB}/ase/io/gpawtext.pyc
${PYSITELIB}/ase/io/gpawtext.pyo
${PYSITELIB}/ase/io/iwm.py
${PYSITELIB}/ase/io/iwm.pyc
${PYSITELIB}/ase/io/iwm.pyo
${PYSITELIB}/ase/io/mol.py
${PYSITELIB}/ase/io/mol.pyc
${PYSITELIB}/ase/io/mol.pyo
${PYSITELIB}/ase/io/netcdf.py
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${PYSITELIB}/ase/io/pdb.py
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${PYSITELIB}/ase/io/plt.py
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${PYSITELIB}/ase/io/png.py
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${PYSITELIB}/ase/io/py.py
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${PYSITELIB}/ase/io/sdf.py
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${PYSITELIB}/ase/io/turbomole.py
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${PYSITELIB}/ase/io/vnl.py
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${PYSITELIB}/ase/io/vtkxml.py
${PYSITELIB}/ase/io/vtkxml.pyc
${PYSITELIB}/ase/io/vtkxml.pyo
${PYSITELIB}/ase/io/wien2k.py
${PYSITELIB}/ase/io/wien2k.pyc
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${PYSITELIB}/ase/io/xsf.py
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${PYSITELIB}/ase/io/xyz.py
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${PYSITELIB}/ase/lattice/__init__.py
${PYSITELIB}/ase/lattice/__init__.pyc
${PYSITELIB}/ase/lattice/__init__.pyo
${PYSITELIB}/ase/lattice/bravais.py
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${PYSITELIB}/ase/lattice/compounds.py
${PYSITELIB}/ase/lattice/compounds.pyc
${PYSITELIB}/ase/lattice/compounds.pyo
${PYSITELIB}/ase/lattice/cubic.py
${PYSITELIB}/ase/lattice/cubic.pyc
${PYSITELIB}/ase/lattice/cubic.pyo
${PYSITELIB}/ase/lattice/hexagonal.py
${PYSITELIB}/ase/lattice/hexagonal.pyc
${PYSITELIB}/ase/lattice/hexagonal.pyo
${PYSITELIB}/ase/lattice/monoclinic.py
${PYSITELIB}/ase/lattice/monoclinic.pyc
${PYSITELIB}/ase/lattice/monoclinic.pyo
${PYSITELIB}/ase/lattice/orthorhombic.py
${PYSITELIB}/ase/lattice/orthorhombic.pyc
${PYSITELIB}/ase/lattice/orthorhombic.pyo
${PYSITELIB}/ase/lattice/spacegroup/__init__.py
${PYSITELIB}/ase/lattice/spacegroup/__init__.pyc
${PYSITELIB}/ase/lattice/spacegroup/__init__.pyo
${PYSITELIB}/ase/lattice/spacegroup/cell.py
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${PYSITELIB}/ase/lattice/spacegroup/cell.pyo
${PYSITELIB}/ase/lattice/spacegroup/crystal.py
${PYSITELIB}/ase/lattice/spacegroup/crystal.pyc
${PYSITELIB}/ase/lattice/spacegroup/crystal.pyo
${PYSITELIB}/ase/lattice/spacegroup/spacegroup.dat
${PYSITELIB}/ase/lattice/spacegroup/spacegroup.py
${PYSITELIB}/ase/lattice/spacegroup/spacegroup.pyc
${PYSITELIB}/ase/lattice/spacegroup/spacegroup.pyo
${PYSITELIB}/ase/lattice/surface.py
${PYSITELIB}/ase/lattice/surface.pyc
${PYSITELIB}/ase/lattice/surface.pyo
${PYSITELIB}/ase/lattice/tetragonal.py
${PYSITELIB}/ase/lattice/tetragonal.pyc
${PYSITELIB}/ase/lattice/tetragonal.pyo
${PYSITELIB}/ase/lattice/triclinic.py
${PYSITELIB}/ase/lattice/triclinic.pyc
${PYSITELIB}/ase/lattice/triclinic.pyo
${PYSITELIB}/ase/md/__init__.py
${PYSITELIB}/ase/md/__init__.pyc
${PYSITELIB}/ase/md/__init__.pyo
${PYSITELIB}/ase/md/langevin.py
${PYSITELIB}/ase/md/langevin.pyc
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1
py-ase/TODO Normal file
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@ -0,0 +1 @@
svn chekcout https://svn.fysik.dtu.dk/projects/ase/trunk ase

5
py-ase/distinfo Normal file
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@ -0,0 +1,5 @@
$NetBSD: distinfo,v 1.1.1.1 2011/01/17 22:01:18 jihbed Exp $
SHA1 (python-ase-3.4.1.1765.tar.gz) = 06c4d9c5329f2f48b055e85d69fbef36e93a8431
RMD160 (python-ase-3.4.1.1765.tar.gz) = fac5a645ae0e8ab6f0d062ed1d1a9ee10219317f
Size (python-ase-3.4.1.1765.tar.gz) = 414856 bytes