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Cleanup #18

Merged
merged 15 commits into from
Nov 5, 2024
Merged

Cleanup #18

merged 15 commits into from
Nov 5, 2024

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benrich37
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Adding explicit str methods, moving JDFTXInfile and JDFTXOutfile classes to the inputs and outputs modules (will be moved to own modules once broader input/output classes are written

…ileslice as its only foreseeable utility is in its initializing a jdftxoutfileslice object
…s its only foreseeable utility is in its initializing a joutstructure object. "is_lowdin_start_line" not included due to usage in other class initializations. Moving "get_joutstructures_start_idx" and "get_joutstructure_step_bounds" to joutructures module.
…ll pprint and to extend repr to incorporate properties for JDFTXOutfileSlice (but not for deeper objects). This behavior is far from good, but is at least better than it was. This can be fixed later once the usage for stringify is more clear
@benrich37 benrich37 merged commit d4355a4 into master Nov 5, 2024
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