A lot of code is repeated in all the different heat capacity functions (standard heat capacity, partial heat capacities by conformational state, reevaluated heat capacities) - it would be clearer and easier to follow if we reused parts of the code such as the finite difference calculation, etc.
A lot of code is repeated in all the different heat capacity functions (standard heat capacity, partial heat capacities by conformational state, reevaluated heat capacities) - it would be clearer and easier to follow if we reused parts of the code such as the finite difference calculation, etc.