aiida package¶
AiiDA is a flexible and scalable informatics’ infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science.
Able to store the full provenance of each object, and based on a tailored database built for efficient data mining of heterogeneous results, AiiDA gives the user the ability to interact seamlessly with any number of remote HPC resources and codes, thanks to its flexible plugin interface and workflow engine for the automation of complex sequences of simulations.
More information at http://www.aiida.net
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aiida.
_get_raw_file_header
()[source]¶ Get a string to be put as header of files created with AiiDA; no comment character is put in front
Returns: a (multiline) string
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aiida.
get_file_header
(comment_char='# ')[source]¶ Get a string to be put as header of files created with AiiDA; put in front a comment character as specified in the parameter
Parameters: comment_char – string put in front of each line Returns: a (multiline) string
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aiida.
get_strict_version
()[source]¶ Return a distutils StrictVersion instance with the current distribution version
Returns: StrictVersion instance with the current version
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aiida.
get_version
()[source]¶ Return the current distribution version
Returns: a string with the current version
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aiida.
try_load_dbenv
(*argc, **argv)[source]¶ Run load_dbenv unless the dbenv has already been loaded.
Subpackages¶
- aiida.backends package
- Subpackages
- aiida.backends.djsite package
- aiida.backends.general package
- aiida.backends.sqlalchemy package
- aiida.backends.tests package
- Submodules
- Subpackages
- aiida.calculations package
- aiida.cmdline package
- aiida.common package
- aiida.engine package
- aiida.manage package
- aiida.orm package
- aiida.parsers package
- aiida.plugins package
- aiida.restapi package
- aiida.schedulers package
- aiida.sphinxext package
- aiida.tools package
- aiida.transports package