8000 Attributes as classes: serialize to MOLDEN · Issue #1418 · cclib/cclib · GitHub
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Attributes as classes: serialize to MOLDEN #1418

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berquist opened this issue Apr 29, 2024 · 0 comments
Open

Attributes as classes: serialize to MOLDEN #1418

berquist opened this issue Apr 29, 2024 · 0 comments
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From the current version of the paper:

For example, each attribute is now responsible for generating its own representation for each serialization format, such as MOLDEN and Chemical JSON. When creating a MOLDEN output file from a ccData instance, an outer-level driver routine calls a method on each attribute attached to a ccData which returns that attribute's MOLDEN representation, such as the [GTO] block from the gbasis attribute.
@berquist berquist added this to the v2.0 milestone Apr 29, 2024
@berquist berquist self-assigned this Apr 29, 2024
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