Several defect bug fixes and modification to Incar.from_string #1276
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…st to reflect change
…low for stability to be determined if only one charge exists
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Thre are failing tests related to the defect package. Pls fix first. |
… existing when a single charge state is stable
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Apologies. Tests are fixed now. |
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Non-defects related
Defects related
2) Enforce lattice matching between defect site and structure inputs to Defect objects. Also added a unit test to ensure this works.
3) Modify defect supercell generation routine for Defect objects to allow for rotational supercell transformations. Also added a unit test to ensure this works.
4) Fix bug in bandfilling correction and modify related unit test.