hoomd.meta

Overview

hoomd.meta.dump_metadata Writes simulation metadata into a file.

Details

Write out simulation and environment context metadata.

Metadata is stored in form of key-value pairs in a JSON file and used to summarize the per-run simulation parameters so that they can be easily taken up by other scripts and stored in a database.

Example:

metadata = meta.dump_metadata()
meta.dump_metadata(filename = "metadata.json", user = {'debug': True}, indent=2)
hoomd.meta.dump_metadata(filename=None, user=None, indent=4)

Writes simulation metadata into a file.

Parameters:
  • filename (str) – The name of the file to write JSON metadata to (optional)
  • user (dict) – Additional metadata.
  • indent (int) – The json indentation size
Returns:

metadata as a dictionary

When called, this function will query all registered forces, updaters etc. and ask them to provide metadata. E.g. a pair potential will return information about parameters, the Logger will output the filename it is logging to, etc.

Custom metadata can be provided as a dictionary to user.

The output is aggregated into a dictionary and written to a JSON file, together with a timestamp. The file is overwritten if it exists.