PostFeatures

PostMDThermalExpansionFeature()

The matlantis-feature for calculating the thermal expansion from the MD trajectories at different temperatures.

FeatureResults

PostMDThermalExpansionFeatureResult(volume, …)

Result dataclass for the thermal expansion feature.

Classes

ThermalExpansionResult(temperature, …)

Result dataclass for the thermal expansion result of the thermal expansion feature.

VolumeResult(temperature, volume, length_x, …)

Result dataclass for the volume result of the thermal expansion feature.