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analysis¶

Simulation trajectory analysis¶

This module provides a variety of classes for analyzing simulation trajectories.

mdcraft.analysis.base

Analysis base classes

mdcraft.analysis.electrostatics

Electrostatics

mdcraft.analysis.polymer

Polymeric analysis

mdcraft.analysis.profile

Linear profiles

mdcraft.analysis.structure

Bulk structural analysis

mdcraft.analysis.thermodynamics

Thermodynamic properties

mdcraft.analysis.transport

Transport properties

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    • Simulation trajectory analysis