EPEL 8 for ppc64le : / usr /lib /python3.6 /site-packages /ase /test

• Ag-Cu100.py
• CO2_Au111.py
• CO2linear_Au111.py
• CO2linear_Au111_langevin.py
• COCu111.py
• COCu111_2.py
• __init__.py
• __pycache__
• abinit
• acn.py
• ag.py
• aic.py
• aims
• amber
• analysis.py
• atom.py
• atoms.py
• atoms_angle.py
• atoms_distance.py
• atoms_formula.py
• atoms_get_duplicates.py
• atoms_get_positions.py
• atoms_getitem.py
• atoms_info_copy.py
• atoms_instantiation.py
• autoneb.py
• bader.py
• bandgap.py
• bandstructure.py
• bandstructure_json.py
• bandstructure_many.py
• bandstructure_transform_mcl.py
• basin.py
• bravais_2d_cell_pbc.py
• bravais_check.py
• bravais_check_standard_form.py
• bravais_eps.py
• bravais_hex.py
• bravais_lattices.py
• bravais_orcc_mcl.py
• build.py
• build_bulk.py
• bulk.py
• c60.py
• calculator
• calculator_label.py
• castep
• cell_completion.py
• cell_conv.py
• cell_uncompletion.py
• center.py
• center_nonperiodic.py
• checkpoint.py
• cif
• com.py
• combine_mm.py
• combine_mm2.py
• compare_atoms.py
• constraints
• constraints.py
• counterions.py
• cp2k
• crystal
• cutoffs_test.py
• db
• demon
• dependency_matplotlib.py
• dft
• dftb
• diffusion_coefficient.py
• dihedralconstraint.py
• dimensionality.py
• dimer.py
• dimer_method.py
• distance.py
• distmom.py
• dmol
• doctests.py
• dos.py
• dynamic_neb.py
• eam_pot.py
• eam_pot_test.py
• eam_test.py
• elk
• emt.py
• emt1.py
• emt2.py
• emt_h3o2m.py
• emt_stress.py
• eon
• eos.py
• espresso
• example.py
• exciting
• external_force.py
• filter.py
• fio
• fire.py
• fix_bond_length_mic.py
• flakes.py
• fleur
• forcecurve.py
• forceqmmm.py
• formula.py
• franck_condon.py
• ga
• gaussian
• geometry.py
• get_angles.py
• gpaw
• gromacs
• gui
• h2.py
• hcp.py
• hookean.py
• idealgas.py
• idpp.py
• ipi_protocol_bfgs.py
• issue276.py
• jacapo
• kim
• kpts.py
• lammpsdata
• lammpslib
• lammpsrun
• langevin.py
• langevin_switching.py
• lattice_lindep.py
• line_lattice.py
• linesearch_maxstep.py
• lock.py
• makebandpath.py
• matplotlib_plot.py
• maxwellboltzmann.py
• md.py
• md_logger.py
• md_logger_interval.py
• mic.py
• minimahop.py
• minimum_image_convention.py
• minkowski_reduce.py
• mixingcalc.py
• mpi.py
• n2.py
• neb.py
• neb_tr.py
• neighbor.py
• neighbor_kernel.py
• niggli.py
• niggli_op.py
• noncollinear.py
• nwchem
• octopus
• onetep
• parameteric_constr.py
• parsemath.py
• pathlib_support.py
• permute_axes.py
• phonon_md_init.py
• potential_energies.py
• precon_amin.py
• preconlbfgs.py
• preconsmallcell.py
• preconunitcellfilter.py
• properties.py
• pubchem.py
• pull.py
• qbox
• qchem
• qmmm.py
• qmmm_acn.py
• qmmm_tip4p.py
• quaternions.py
• rattle.py
• rattle_linear.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
• singlepoint_dft_calc.py
• singlepointcalc.py
• spacegroup_crystal.py
• springcalc.py
• standard_form.py
• stm.py
• strain.py
• strain_emt.py
• stress.py
• structure_comparator.py
• supercell.py
• surface.py
• surface_stack.py
• surface_terminations.py
• symbols.py
• test_kpts2kpts.py
• testsuite.py
• thermochemistry.py
• things.py
• tip4p.py
• tipnp.py
• turbomole
• unitcellfilter.py
• unitcellfilter2.py
• unitcellfilterpressure.py
• units.py
• vacancy.py
• vasp
• verlet.py
• vib.py
• x3d.py
• xrdebye.py

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Fabrice Bellet, Mon Oct 20 03:08:42 2025