Welcome to SporTran’s documentation!

Introduction

• SporTran (FKA thermocepstrum)
  • Documentation
  • References
  • Usage
  • Requirements
  • Installation
  • Issues
• SporTran GUI
  • Installation
  • Usage

Examples

Jupyter notebook examples

These examples show how to use the sportran package in a Python script, step by step, to analyse a time series and perform cepstral analysis. Some of the tools and plot functions of the code are presented.

• Example 1: Cepstral Analysis of solid amorphous Silica
  • 1. Load trajectory
  • 2. Heat Current
  • 3. Resampling
  • 4. Cepstral Analysis
• Example 2: Cepstral Analysis of liquid NaCl
  • 1. Load trajectory
  • 2. Heat Current
  • 3. Resampling
  • 4. Cepstral Analysis
• Example 5: input file formats
  • 1. table format
  • 2. dict format
  • 3. lammps format

Command line examples

These examples show how to use the command line program sportran-analysis (analysis.py) to perform cepstral analysis in a straightforward way. This is an expedient tool to analyse a time series using predefined parameters. Results are produced in the form of several text/binary files and pdf plots. You can find the examples in the repository.

• Example 3: command line (silica)
• Example 4: command line (NaCl)

LAMMPS input files for energy current generation

• Example inputs files for LAMMPS simulation of silica glass

API

• Library API
  • sportran
    • Sportran library
    • sportran.analysis
      • sportran.analysis.TCOutput
    • sportran.current
      • sportran.current.current
        • sportran.current.current.Current
      • sportran.current.electric
        • sportran.current.electric.ElectricCurrent
      • sportran.current.generic
        • sportran.current.generic.GenericCurrent
      • sportran.current.heat
        • sportran.current.heat.HeatCurrent
      • sportran.current.stress
        • sportran.current.stress.StressCurrent
      • sportran.current.tools
        • sportran.current.tools.fstar_analysis
      • sportran.current.units
        • sportran.current.units.constants
        • sportran.current.units.electric
        • sportran.current.units.heat
        • sportran.current.units.stress
    • sportran.i_o
      • sportran.i_o.read_lammps_datafile
      • sportran.i_o.read_lammps_dump
        • sportran.i_o.read_lammps_dump.LAMMPS_Dump
      • sportran.i_o.read_lammps_log
        • sportran.i_o.read_lammps_log.LAMMPSLogFile
      • sportran.i_o.read_tablefile
        • sportran.i_o.read_tablefile.TableFile
    • sportran.md
      • sportran.md.aic
      • sportran.md.cepstral
        • sportran.md.cepstral.CepstralFilter
      • sportran.md.mdsample
        • sportran.md.mdsample.MDSample
      • sportran.md.resample
      • sportran.md.tools
        • sportran.md.tools.acf
        • sportran.md.tools.armodel
          • sportran.md.tools.armodel.AR_Model
        • sportran.md.tools.filter
        • sportran.md.tools.lpfilter
          • sportran.md.tools.lpfilter.LowPassFilter
        • sportran.md.tools.resample
        • sportran.md.tools.spectrum
    • sportran.plotter
      • sportran.plotter.cli
        • sportran.plotter.cli.CLIPlotter
      • sportran.plotter.current
        • sportran.plotter.current.CurrentPlotter
      • sportran.plotter.mdsample
        • sportran.plotter.mdsample.MDSamplePlotter
      • sportran.plotter.plotter
        • sportran.plotter.plotter.Plotter
      • sportran.plotter.style
      • sportran.plotter.styles
    • sportran.utils
      • sportran.utils.attributedict
        • sportran.utils.attributedict.AttributeDict
      • sportran.utils.decorators
      • sportran.utils.logger
        • sportran.utils.logger.PrintMethod

Indices and tables

• Index

• Module Index

• Search Page