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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

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mesonepigreco opened this issue May 9, 2022 · 1 comment
Open

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

mesonepigreco opened this issue May 9, 2022 · 1 comment
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@josudiego
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@mesonepigreco mesonepigreco added this to the 2.0 milestone May 9, 2022
@mesonepigreco mesonepigreco changed the title Symmetry reduction of the elements (Josu) and avoid storage in memory of all elements in the 3rd and 4th order force constants Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants May 9, 2022
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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.

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