[ol8_developer_EPEL] python3-ase-3.19.1-3.el8.noarch

Name:	python3-ase
Version:	3.19.1
Release:	3.el8
Architecture:	noarch
Group:	Unspecified
Size:	15599029
License:	LGPLv2+ and MIT
RPM:	python3-ase-3.19.1-3.el8.noarch.rpm
Source RPM:	python-ase-3.19.1-3.el8.src.rpm
Build Date:	Sun Jul 12 2020
Build Host:	jenkins-10-147-72-125-e9964140-256c-441c-9224-221f823c95e3.appad2iad.osdevelopmeniad.oraclevcn.com
Vendor:	Oracle America
URL:	https://wiki.fysik.dtu.dk/ase/
Summary:	Atomic Simulation Environment for Python 3
Description:	The Atomic Simulation Environment (ASE) is the common part of the simulation tools developed at CAMd. ASE provides Python 3 modules for manipulating atoms, analyzing simulations, etc.

Filelist (Show Changelog) (Show related packages)

/
- usr
  - bin
    
    ase
    
    ase-build
    
    ase-db
    
    ase-gui
    
    ase-info
    
    ase-run
  - lib
    
    python3.6
    
    site-packages
    
    ase
    
    __init__.py
    
    __main__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
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    __main__.cpython-36.pyc
    
    atom.cpython-36.opt-1.pyc
    
    atom.cpython-36.pyc
    
    atoms.cpython-36.opt-1.pyc
    
    atoms.cpython-36.pyc
    
    autoneb.cpython-36.opt-1.pyc
    
    autoneb.cpython-36.pyc
    
    cell.cpython-36.opt-1.pyc
    
    cell.cpython-36.pyc
    
    constraints.cpython-36.opt-1.pyc
    
    constraints.cpython-36.pyc
    
    dimer.cpython-36.opt-1.pyc
    
    dimer.cpython-36.pyc
    
    eos.cpython-36.opt-1.pyc
    
    eos.cpython-36.pyc
    
    formula.cpython-36.opt-1.pyc
    
    formula.cpython-36.pyc
    
    infrared.cpython-36.opt-1.pyc
    
    infrared.cpython-36.pyc
    
    neb.cpython-36.opt-1.pyc
    
    neb.cpython-36.pyc
    
    neighborlist.cpython-36.opt-1.pyc
    
    neighborlist.cpython-36.pyc
    
    nomad.cpython-36.opt-1.pyc
    
    nomad.cpython-36.pyc
    
    parallel.cpython-36.opt-1.pyc
    
    parallel.cpython-36.pyc
    
    phasediagram.cpython-36.opt-1.pyc
    
    phasediagram.cpython-36.pyc
    
    phonons.cpython-36.opt-1.pyc
    
    phonons.cpython-36.pyc
    
    quaternions.cpython-36.opt-1.pyc
    
    quaternions.cpython-36.pyc
    
    structure.cpython-36.opt-1.pyc
    
    structure.cpython-36.pyc
    
    symbols.cpython-36.opt-1.pyc
    
    symbols.cpython-36.pyc
    
    thermochemistry.cpython-36.opt-1.pyc
    
    thermochemistry.cpython-36.pyc
    
    units.cpython-36.opt-1.pyc
    
    units.cpython-36.pyc
    
    atom.py
    
    atoms.py
    
    autoneb.py
    
    build
    
    __init__.py
    
    __pycache__
    
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    __init__.cpython-36.pyc
    
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    adsorb.cpython-36.pyc
    
    bulk.cpython-36.opt-1.pyc
    
    bulk.cpython-36.pyc
    
    general_surface.cpython-36.opt-1.pyc
    
    general_surface.cpython-36.pyc
    
    molecule.cpython-36.opt-1.pyc
    
    molecule.cpython-36.pyc
    
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    root.cpython-36.opt-1.pyc
    
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    rotate.cpython-36.opt-1.pyc
    
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    supercells.cpython-36.opt-1.pyc
    
    supercells.cpython-36.pyc
    
    surface.cpython-36.opt-1.pyc
    
    surface.cpython-36.pyc
    
    surfaces_with_termination.cpython-36.opt-1.pyc
    
    surfaces_with_termination.cpython-36.pyc
    
    tools.cpython-36.opt-1.pyc
    
    tools.cpython-36.pyc
    
    tube.cpython-36.opt-1.pyc
    
    tube.cpython-36.pyc
    
    voids.cpython-36.opt-1.pyc
    
    voids.cpython-36.pyc
    
    adsorb.py
    
    bulk.py
    
    general_surface.py
    
    molecule.py
    
    ribbon.py
    
    root.py
    
    rotate.py
    
    supercells.py
    
    surface.py
    
    surfaces_with_termination.py
    
    tools.py
    
    tube.py
    
    voids.py
    
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    __init__.py
    
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    amber.cpython-36.opt-1.pyc
    
    amber.cpython-36.pyc
    
    ase_qmmm_manyqm.cpython-36.opt-1.pyc
    
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    autodetect.cpython-36.opt-1.pyc
    
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    calculator.cpython-36.opt-1.pyc
    
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    fleur.cpython-36.opt-1.pyc
    
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    gaussian.cpython-36.opt-1.pyc
    
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    general.cpython-36.opt-1.pyc
    
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    gromacs.cpython-36.opt-1.pyc
    
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    harmonic.cpython-36.opt-1.pyc
    
    harmonic.cpython-36.pyc
    
    idealgas.cpython-36.opt-1.pyc
    
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    interface.cpython-36.opt-1.pyc
    
    interface.cpython-36.pyc
    
    interfacechecker.cpython-36.opt-1.pyc
    
    interfacechecker.cpython-36.pyc
    
    lammpslib.cpython-36.opt-1.pyc
    
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    lj.cpython-36.opt-1.pyc
    
    lj.cpython-36.pyc
    
    loggingcalc.cpython-36.opt-1.pyc
    
    loggingcalc.cpython-36.pyc
    
    mixing.cpython-36.opt-1.pyc
    
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    octopus.cpython-36.opt-1.pyc
    
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    psi4.cpython-36.opt-1.pyc
    
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    singlepoint.cpython-36.opt-1.pyc
    
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    socketio.cpython-36.opt-1.pyc
    
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    test.cpython-36.opt-1.pyc
    
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    aims.py
    
    amber.py
    
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    calculator.py
    
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    checkpoint.py
    
    combine_mm.py
    
    counterions.py
    
    cp2k.py
    
    crystal.py
    
    dacapo.py
    
    demon
    
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    demon_io.cpython-36.opt-1.pyc
    
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    demon.py
    
    demon_io.py
    
    demonnano.py
    
    dftb.py
    
    dftd3.py
    
    dmol.py
    
    eam.py
    
    elk.py
    
    emt.py
    
    espresso.py
    
    exciting.py
    
    ff.py
    
    fleur.py
    
    gaussian.py
    
    general.py
    
    gromacs.py
    
    gulp.py
    
    harmonic.py
    
    idealgas.py
    
    interface.py
    
    interfacechecker.py
    
    jacapo
    
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    inputwriter.py
    
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    lj.py
    
    loggingcalc.py
    
    mixing.py
    
    mopac.py
    
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    mbpt_lcao_io.py
    
    mbpt_lcao_utils.py
    
    parameters.py
    
    siesta.py
    
    siesta_raman.py
    
    singlepoint.py
    
    socketio.py
    
    test.py
    
    tip3p.py
    
    tip4p.py
    
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    vasp.cpython-36.pyc
    
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    build.py
    
    complete.py
    
    completion.py
    
    convert.py
    
    find.py
    
    info.py
    
    main.py
    
    nomad.py
    
    nomadget.py
    
    reciprocal.py
    
    run.py
    
    show.py
    
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    cluster.py
    
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    turbomole_h3o2m.cpython-36.pyc
    
    turbomole_optimizer.cpython-36.opt-1.pyc
    
    turbomole_optimizer.cpython-36.pyc
    
    turbomole_qmmm.cpython-36.opt-1.pyc
    
    turbomole_qmmm.cpython-36.pyc
    
    turbomole_2h2o.py
    
    turbomole_H2.py
    
    turbomole_au13.py
    
    turbomole_h2o.py
    
    turbomole_h3o2m.py
    
    turbomole_optimizer.py
    
    turbomole_qmmm.py
    
    unitcellfilter.py
    
    unitcellfilter2.py
    
    unitcellfilterpressure.py
    
    units.py
    
    vacancy.py
    
    vasp
    
    __init__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
    vasp2_Al_volrelax.cpython-36.opt-1.pyc
    
    vasp2_Al_volrelax.cpython-36.pyc
    
    vasp2_cell.cpython-36.opt-1.pyc
    
    vasp2_cell.cpython-36.pyc
    
    vasp2_check_state.cpython-36.opt-1.pyc
    
    vasp2_check_state.cpython-36.pyc
    
    vasp2_co.cpython-36.opt-1.pyc
    
    vasp2_co.cpython-36.pyc
    
    vasp2_import.cpython-36.opt-1.pyc
    
    vasp2_import.cpython-36.pyc
    
    vasp2_kpoints.cpython-36.opt-1.pyc
    
    vasp2_kpoints.cpython-36.pyc
    
    vasp2_slab.cpython-36.opt-1.pyc
    
    vasp2_slab.cpython-36.pyc
    
    vasp2_wdir.cpython-36.opt-1.pyc
    
    vasp2_wdir.cpython-36.pyc
    
    vasp2_xc.cpython-36.opt-1.pyc
    
    vasp2_xc.cpython-36.pyc
    
    vasp2_xml.cpython-36.opt-1.pyc
    
    vasp2_xml.cpython-36.pyc
    
    vasp_Al_volrelax.cpython-36.opt-1.pyc
    
    vasp_Al_volrelax.cpython-36.pyc
    
    vasp_cell.cpython-36.opt-1.pyc
    
    vasp_cell.cpython-36.pyc
    
    vasp_co.cpython-36.opt-1.pyc
    
    vasp_co.cpython-36.pyc
    
    vasp_input.cpython-36.opt-1.pyc
    
    vasp_input.cpython-36.pyc
    
    vasp_kpoints.cpython-36.opt-1.pyc
    
    vasp_kpoints.cpython-36.pyc
    
    vasp_net_charge.cpython-36.opt-1.pyc
    
    vasp_net_charge.cpython-36.pyc
    
    vasp_setup.cpython-36.opt-1.pyc
    
    vasp_setup.cpython-36.pyc
    
    vasp_xc.cpython-36.opt-1.pyc
    
    vasp_xc.cpython-36.pyc
    
    vasp_xml.cpython-36.opt-1.pyc
    
    vasp_xml.cpython-36.pyc
    
    vasp2_Al_volrelax.py
    
    vasp2_cell.py
    
    vasp2_check_state.py
    
    vasp2_co.py
    
    vasp2_import.py
    
    vasp2_kpoints.py
    
    vasp2_slab.py
    
    vasp2_wdir.py
    
    vasp2_xc.py
    
    vasp2_xml.py
    
    vasp_Al_volrelax.py
    
    vasp_cell.py
    
    vasp_co.py
    
    vasp_input.py
    
    vasp_kpoints.py
    
    vasp_net_charge.py
    
    vasp_setup.py
    
    vasp_xc.py
    
    vasp_xml.py
    
    verlet.py
    
    vib.py
    
    x3d.py
    
    xrdebye.py
    
    thermochemistry.py
    
    transport
    
    __init__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
    calculators.cpython-36.opt-1.pyc
    
    calculators.cpython-36.pyc
    
    greenfunction.cpython-36.opt-1.pyc
    
    greenfunction.cpython-36.pyc
    
    selfenergy.cpython-36.opt-1.pyc
    
    selfenergy.cpython-36.pyc
    
    stm.cpython-36.opt-1.pyc
    
    stm.cpython-36.pyc
    
    stm_test.cpython-36.opt-1.pyc
    
    stm_test.cpython-36.pyc
    
    test_transport_calulator.cpython-36.opt-1.pyc
    
    test_transport_calulator.cpython-36.pyc
    
    tools.cpython-36.opt-1.pyc
    
    tools.cpython-36.pyc
    
    calculators.py
    
    greenfunction.py
    
    selfenergy.py
    
    stm.py
    
    stm_test.py
    
    test_transport_calulator.py
    
    tools.py
    
    units.py
    
    utils
    
    __init__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
    arraywrapper.cpython-36.opt-1.pyc
    
    arraywrapper.cpython-36.pyc
    
    bee.cpython-36.opt-1.pyc
    
    bee.cpython-36.pyc
    
    build_web_page.cpython-36.opt-1.pyc
    
    build_web_page.cpython-36.pyc
    
    cext.cpython-36.opt-1.pyc
    
    cext.cpython-36.pyc
    
    deltacodesdft.cpython-36.opt-1.pyc
    
    deltacodesdft.cpython-36.pyc
    
    distance.cpython-36.opt-1.pyc
    
    distance.cpython-36.pyc
    
    eos.cpython-36.opt-1.pyc
    
    eos.cpython-36.pyc
    
    extrapolate.cpython-36.opt-1.pyc
    
    extrapolate.cpython-36.pyc
    
    ff.cpython-36.opt-1.pyc
    
    ff.cpython-36.pyc
    
    forcecurve.cpython-36.opt-1.pyc
    
    forcecurve.cpython-36.pyc
    
    geometry.cpython-36.opt-1.pyc
    
    geometry.cpython-36.pyc
    
    linesearch.cpython-36.opt-1.pyc
    
    linesearch.cpython-36.pyc
    
    linesearcharmijo.cpython-36.opt-1.pyc
    
    linesearcharmijo.cpython-36.pyc
    
    memory.cpython-36.opt-1.pyc
    
    memory.cpython-36.pyc
    
    newrelease.cpython-36.opt-1.pyc
    
    newrelease.cpython-36.pyc
    
    parsemath.cpython-36.opt-1.pyc
    
    parsemath.cpython-36.pyc
    
    sphinx.cpython-36.opt-1.pyc
    
    sphinx.cpython-36.pyc
    
    structure_comparator.cpython-36.opt-1.pyc
    
    structure_comparator.cpython-36.pyc
    
    stylecheck.cpython-36.opt-1.pyc
    
    stylecheck.cpython-36.pyc
    
    timing.cpython-36.opt-1.pyc
    
    timing.cpython-36.pyc
    
    xrdebye.cpython-36.opt-1.pyc
    
    xrdebye.cpython-36.pyc
    
    arraywrapper.py
    
    bee.py
    
    build_web_page.py
    
    cext.py
    
    deltacodesdft.py
    
    distance.py
    
    eos.py
    
    extrapolate.py
    
    ff.py
    
    forcecurve.py
    
    geometry.py
    
    linesearch.py
    
    linesearcharmijo.py
    
    memory.py
    
    newrelease.py
    
    parsemath.py
    
    sphinx.py
    
    structure_comparator.py
    
    stylecheck.py
    
    timing.py
    
    xrdebye.py
    
    vibrations
    
    __init__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
    albrecht.cpython-36.opt-1.pyc
    
    albrecht.cpython-36.pyc
    
    franck_condon.cpython-36.opt-1.pyc
    
    franck_condon.cpython-36.pyc
    
    infrared.cpython-36.opt-1.pyc
    
    infrared.cpython-36.pyc
    
    placzek.cpython-36.opt-1.pyc
    
    placzek.cpython-36.pyc
    
    resonant_raman.cpython-36.opt-1.pyc
    
    resonant_raman.cpython-36.pyc
    
    vibrations.cpython-36.opt-1.pyc
    
    vibrations.cpython-36.pyc
    
    albrecht.py
    
    franck_condon.py
    
    infrared.py
    
    placzek.py
    
    resonant_raman.py
    
    vibrations.py
    
    visualize
    
    __init__.py
    
    __pycache__
    
    __init__.cpython-36.opt-1.pyc
    
    __init__.cpython-36.pyc
    
    colortable.cpython-36.opt-1.pyc
    
    colortable.cpython-36.pyc
    
    fieldplotter.cpython-36.opt-1.pyc
    
    fieldplotter.cpython-36.pyc
    
    mlab.cpython-36.opt-1.pyc
    
    mlab.cpython-36.pyc
    
    ngl.cpython-36.opt-1.pyc
    
    ngl.cpython-36.pyc
    
    plot.cpython-36.opt-1.pyc
    
    plot.cpython-36.pyc
    
    primiplotter.cpython-36.opt-1.pyc
    
    primiplotter.cpython-36.pyc
    
    sage.cpython-36.opt-1.pyc
    
    sage.cpython-36.pyc
    
    x3d.cpython-36.opt-1.pyc
    
    x3d.cpython-36.pyc
    
    colortable.py
    
    fieldplotter.py
    
    mlab.py
    
    ngl.py
    
    plot.py
    
    primiplotter.py
    
    sage.py
    
    x3d.py
    
    ase-3.19.1-py3.6.egg-info
    
    PKG-INFO
    
    SOURCES.txt
    
    dependency_links.txt
    
    entry_points.txt
    
    requires.txt
    
    top_level.txt
  - share
    
    applications
    
    ase-gui.desktop
    
    doc
    
    python3-ase
    
    COPYING
    
    COPYING.LESSER
    
    LICENSE
    
    README.rst
    
    pixmaps
    
    ase.png