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Auto-adjust pair potential range when adding configurations #1206

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trisyoungs opened this issue Jul 31, 2022 · 0 comments · May be fixed by #1992
Open

Auto-adjust pair potential range when adding configurations #1206

trisyoungs opened this issue Jul 31, 2022 · 0 comments · May be fixed by #1992
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@aboswel
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Scope: GUI Related to the GUI Type: Enhancement Enhancement for existing feature

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@trisyoungs
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Describe the feature / issue
After adding a new configuration of "modest" size, the first step afterwards is often adjusting the pair potential range (down) so that it is not longer than the maximum half-cell length (or, more generally the the inscribed sphere radius). The wizard could easily contain a feature to adjust this automatically when the configuration is created.
@trisyoungs trisyoungs added the Type: Enhancement Enhancement for existing feature label Jul 31, 2022
@trisyoungs trisyoungs added Scope: GUI Related to the GUI Scope: Workflow Affects general workflow or operation and removed Scope: GUI Related to the GUI Scope: Workflow Affects general workflow or operation labels Jul 12, 2023
@trisyoungs trisyoungs added the Scope: Workflow Affects general workflow or operation label Jul 12, 2023
@trisyoungs trisyoungs added Scope: GUI Related to the GUI and removed Scope: GUI Related to the GUI Scope: Workflow Affects general workflow or operation labels Jul 12, 2023
@trisyoungs trisyoungs assigned trisyoungs and aboswel and unassigned trisyoungs Oct 10, 2024
@aboswel aboswel linked a pull request Oct 23, 2024 that will close this issue
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@aboswel aboswel linked a pull request Oct 23, 2024 that will close this issue
feat: adjust potential range against box geometry dialog #1992
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feat: adjust potential range against box geometry dialog disorderedmaterials/dissolve
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@trisyoungs @aboswel