Index of /data/main/p/python-ase/3.13.0-1/ase/test
Parent Directory
Ag-Cu100.py
CO2_Au111.py
COCu111.py
COCu111_2.py
__init__.py
__main__.py
abinit/
ag.py
aims/
amber/
atom.py
atoms_distance.py
atoms_get_duplicates.py
atoms_info_copy.py
bader.py
bandgap.py
bandstructure.py
basin.py
build.py
bulk.py
c60.py
calculator/
castep/
center.py
checkpoint.py
com.py
constraints/
coverage.py
cp2k/
crystal.py
db.py
db2.py
db_web.py
demon/
dependency_gtk.py
dependency_matplotlib.py
dft/
dftb/
dihedralconstraint.py
dimer.py
dimer_method.py
distance.py
distmom.py
doctests.py
eam_pot.py
eam_pot_test.py
eam_test.py
elk/
emt.py
emt1.py
emt2.py
emt_h3o2m.py
eon/
eos.py
example.py
exciting/
external_force.py
filter.py
fio/
fire.py
fix_bond_length_mic.py
fleur/
franck_condon.py
ga/
gaussian/
geometry.py
gpaw/
gromacs/
gui/
h2.py
hcp.py
hookean.py
idpp.py
jacapo/
kpts.py
lammpsdata/
langevin.py
maxwellboltzmann.py
md.py
mic.py
minimahop.py
mopac.py
n2.py
neb.py
neb_tr.py
neighbor.py
niggli.py
noncollinear.py
nwchem/
octopus/
onetep/
pourbaix.py
preconlbfgs.py
properties.py
pull.py
qmmm.py
quaternions.py
rattle.py
repeat_FixAtoms.py
replay.py
root_test.py
rotate.py
rotate_euler.py
s22.py
scaled_positions.py
scientificpython_bug.py
set_get_angle.py
set_momenta.py
siesta/
singlepointcalc.py
stm.py
strain.py
strain_emt.py
stress.py
surface.py
thermochemistry.py
things.py
tip3p.py
turbomole/
unitcellfilter.py
unitcellfilter2.py
units.py
vacancy.py
vasp/
verlet.py
vib.py
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