Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants

SSCHAcode / python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

GNU General Public License v3.0

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Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants #84

Open mesonepigreco opened 2 years ago

mesonepigreco commented 2 years ago

Regarding this issue, I think it could be implemented inside Tensor3 and Tensor4 (a new class to be created) from the CallConstructor ForceTensor.py module. If not directly inside those modules, it would be great to create new modules that inherit those, so as to preserve the same usage and we can also not change the syntax of the whole code.