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Add support for various matrices in the MWFN loader #232

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tovrstra opened this issue Mar 22, 2021 · 0 comments
Open

Add support for various matrices in the MWFN loader #232

tovrstra opened this issue Mar 22, 2021 · 0 comments

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@tovrstra
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The MWFN file may also contain sections with integrals, which are currently not loaded yet.

Related to this, the loader assumes a specific order of sections in the MWFN file (the same order used by the MWFN code). This is probably fine, but makes it harder to implement optional sections (e.g. integrals). This can be addressed at the same time.

For more details, see discussion: #198 (comment)

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