Draft: Enable thermodynamic integration in the serial version
Description
This MR introduces a modification that enables thermodynamic integration using the serial version.
Several changes are necessary
-
modify computation of thermodynamic potential change -
add example (suggestions: bulk PdAu (a bit boring), FeCr (requires CD-EAM))
The update of the documentation will be handled in a different issue/MR.
Edited by Paul Erhart