Adding parsers for wavefunctions and U matrices #13
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A parser for the _u.mat and _u_dis.mat files has been added. Moreover, also a parser for wavefunctions (UNKNNNNN.N files) has been added, but also in the (non-default) case where they are printed in formatted format, for now. Tests are added (skipping U matrices for Wannier 2.x where this was not implemented) and CLI is expanded as well with two new commands.
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jimustafa
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May 29, 2024
Co-authored-by: Jamal Mustafa <[email protected]>
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Thanks @jimustafa ! Updated with your suggestions |
jimustafa
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May 30, 2024
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A parser for the _u.mat and _u_dis.mat files has been added. Moreover, also a parser for wavefunctions (UNKNNNNN.N files) has been added, but also in the (non-default) case where they are printed in formatted format, for now.
Tests are added (skipping U matrices for Wannier 2.x where this was not implemented) and CLI is expanded as well with two new commands.