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
aiida.
_get_raw_file_header
Get the default header for source AiiDA source code files. Note: is not preceded by comment character.
default AiiDA source file header
str
get_file_header
Get the default header for source AiiDA source code files.
Note
Prepend by comment character.
comment_char (str) – string put in front of each line
get_strict_version
Return a distutils StrictVersion instance with the current distribution version
StrictVersion instance with the current version
distutils.version.StrictVersion
get_version
Return the current AiiDA distribution version
the current version
is_dbenv_loaded
Determine whether database environment is already loaded.
bool
Deprecated since version 1.0.0: Will be removed in v2.0.0, use aiida.manage.configuration.load_profile() instead.
aiida.manage.configuration.load_profile()
load_dbenv
Alias for load_dbenv from aiida.backends.utils
profile (str) – name of the profile to load
try_load_dbenv
Run load_dbenv unless the dbenv has already been loaded.
whether profile was loaded