Thermal Direct Entries

ionworkspipeline.direct_entries.temperatures(T=298.15)

Returns a DirectEntry object with all temperature parameters set to the same value.

Parameters

Tfloat, optional

The temperature in Kelvin. Default is 298.15.

ionworkspipeline.direct_entries.zero_entropic_change()

Sets the entropic change parameters to zero.

ionworkspipeline.direct_entries.zero_activation_energy()

Sets the activation energy parameters to zero.