DirDyVTST editor: functional redesign, and use as the basis for fragment calculations
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评估
调研方向
Start by reviewing the DirDyVTST editor (dirdyed) and the window screenshots in issue #210, which this issue references. The issue leaves the workflow redesign and the meaning, setup, and code coverage of fragment calculations undecided, so those requirements need to be clarified before implementation. Done means the functional redesign and fragment-calculation scope are agreed; the visual changes from #210 are already applied.
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描述
Summary
From the review of the #210 window screenshots (@ohlincha, 2026-10-04): the DirDyVTST editor (dirdyed, "ECCE NWChem DirDyVTST Editor") should be redesigned in terms of functionality, and should serve as the basis for fragment calculations.
To be worked out
- What the redesign changes in the current editor's workflow.
- What a fragment calculation means here: which fragments, set up how, and which codes it applies to.
- What carries over from the DirDyVTST editor (its handling of several structures in one setup) and what has to be new.
The visual changes from #210 (theme colours, fonts, field widths) already apply to this window; this issue is about its function.
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