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https://github.com/materialsproject/emmet/blob/90e121d5cf1b6b57a33233c927e1044c59354bc5/emmet-builders/emmet/builders/materials/elasticity.py#L250C1-L250C1
@munrojm This is a follow-up about changing how we identify deformation calcs.
The reason for this change would be to then create a looser definition of a Structure_Optimization TaskType in https://github.com/materialsproject/emmet/blob/c4580e2a220d2148ff3543f18c3b2ab3281491b0/emmet-core/emmet/core/vasp/calc_types/utils.py#L1C68-L1C68. This would be necessary for ingesting external data that relaxes structures using an ISIF other than 3.
Structure_Optimization
The text was updated successfully, but these errors were encountered:
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https://github.com/materialsproject/emmet/blob/90e121d5cf1b6b57a33233c927e1044c59354bc5/emmet-builders/emmet/builders/materials/elasticity.py#L250C1-L250C1
@munrojm This is a follow-up about changing how we identify deformation calcs.
The reason for this change would be to then create a looser definition of a
Structure_OptimizationTaskType in https://github.com/materialsproject/emmet/blob/c4580e2a220d2148ff3543f18c3b2ab3281491b0/emmet-core/emmet/core/vasp/calc_types/utils.py#L1C68-L1C68. This would be necessary for ingesting external data that relaxes structures using an ISIF other than 3.The text was updated successfully, but these errors were encountered: