fixed pbc usage across sisl, fixes #764 #767
Merged
Commits on May 14, 2024
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fixed pbc usage across sisl, fixes #764
Now pbc usage has been moved across the code base (I hope everything is managed). I have added a setter for pbc to enable fast setting pbc. It will silently ignore any dimensions not specified. This may be used as a shorthand for lattice.set_boundary_condition(...) Signed-off-by: Nick Papior <[email protected]>
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Signed-off-by: Nick Papior <[email protected]>
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lots of bug-fixes that had problems with pbc migration
The boundary conditions were rarely properly shipped together with the Lattice methods. Basically it boiled down to the copy method which did not take all variables into account. This commit also addes a Listify|listify class|object that can be used to ensures arguments are converted to a list. It can be quite handy as it allows "piping". Enabled a setter for pbc to fast changing stuff. One can pass *none* to not change it. Signed-off-by: Nick Papior <[email protected]>
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Signed-off-by: Nick Papior <[email protected]>
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