ipsuite.calculators package
===========================

Submodules
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ipsuite.calculators.ase\_geoopt module
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.. automodule:: ipsuite.calculators.ase_geoopt
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ipsuite.calculators.ase\_md module
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.. automodule:: ipsuite.calculators.ase_md
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ipsuite.calculators.ase\_standard module
----------------------------------------

.. automodule:: ipsuite.calculators.ase_standard
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ipsuite.calculators.cp2k module
-------------------------------

.. automodule:: ipsuite.calculators.cp2k
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ipsuite.calculators.lammps module
---------------------------------

.. automodule:: ipsuite.calculators.lammps
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ipsuite.calculators.orca module
-------------------------------

.. automodule:: ipsuite.calculators.orca
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ipsuite.calculators.xtb module
------------------------------

.. automodule:: ipsuite.calculators.xtb
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Module contents
---------------

.. automodule:: ipsuite.calculators
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