EXPLORE: Allow unsorted FCs to be used in ForceConstantCalculator
The FC calculator used for MD simulations relies on the label symmetry of the FCs. If the FCs are read in phono3py or shengBTE format from file this will in general not be the case. Therefore, we should consider adding functionality for symmetrizing FCs.
- add test for FC-MD based on unsorted FCs
- increase test coverage of
force_constants.pyas unsorted FCs are being tested in this issue
- old and new tests pass