mdsuite.time_series.base module¶

MDSuite: A Zincwarecode package.

License¶

This program and the accompanying materials are made available under the terms of the Eclipse Public License v2.0 which accompanies this distribution, and is available at https://www.eclipse.org/legal/epl-v20.html

SPDX-License-Identifier: EPL-2.0

Copyright Contributors to the Zincwarecode Project.

Contact Information¶

email: zincwarecode@gmail.com github: https://github.com/zincware web: https://zincwarecode.com/

Citation¶

If you use this module please cite us with:

Summary¶

class mdsuite.time_series.base.TimeSeries(experiment: Experiment)[source]¶

Bases: object

Time Series class.

property data¶: Get the data for all species and timesteps for the loaded_property.

property database¶: Get the database.

plot()[source]¶: Plot the data over timesteps.

property preprocess_data¶: Perform some data preprocessing before plotting it.

mdsuite.time_series.base.running_mean(x, size)[source]¶: Perform a rolling window mean.