Molecular representation based on group counts, as used in 1-stage CoMT-CAMD.
A single generic linear or quadratic constraint.
A variable that can be evaluated explicitly from a linear or quadratic struct.
The heterosegmented gc-PC-SAFT equation of state.
The output of a single optimization consisting of the target, structure variables, and process variables.
The homosegmented group contribution method for the PC-SAFT equation of state.
The molecule superstructure representation.
A single variable.
A collection of variables.