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Summary:
Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.
Latest version:
1.0.1
Required dependencies:
abipy
|
aiida-abinit
|
aiida-ase
|
aiida-bigdft
|
aiida-castep
|
aiida-core
|
aiida-cp2k
|
aiida-fleur
|
aiida-gaussian
|
aiida-nwchem
|
aiida-orca
|
aiida-pseudo
|
aiida-quantumespresso
|
aiida-siesta
|
aiida-vasp
|
aiida-wien2k
|
ase
|
masci-tools
|
numpy
|
pint
|
pymatgen
|
sqlalchemy
Optional dependencies:
docutils
|
pgtest
|
pre-commit
|
pydata-sphinx-theme
|
pygments
|
pylint
|
pytest
|
pytest-regressions
|
sphinx
|
sphinx-copybutton
|
sphinx-panels
|
sphinxcontrib-details-directive
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