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Draft: Enable thermodynamic integration in the serial version

Paul Erhart requested to merge fix-serial-version into master

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

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