orgdisord.cli

Console script for orgdisord.

Functions

get_Elatt(probabilities, energies, ...)	Calculate the lattice energy Elatt for a given temperature.
get_S(probabilities)	Calculate the entropy S factor for a given temperature (implicit in probabilities).
get_boltzmann_weight(multiplicity, energy, ...)	Calculate the Boltzmann weight for a given temperature.
get_deltaA(U, T, S)	Calculate the change in free energy deltaA for a given temperature.
get_partition_function(temperature, ...)	Calculate the partition function for a given temperature.
get_probability(multiplicity, energy, ...)	Calculate the probability of a configuration for a given temperature and partition function, Z.
get_tau(ratios, probabilities)	Calculate the tau factor for a given temperature.