SOF-7813: update esse types - #71
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| // sorting pseudos, this is very hacky! TODO: find better approach for default pseudos per application | ||
| pseudos = PseudopotentialMetaProperty.sortPseudosByPattern(pseudos); | ||
| pseudos = PseudopotentialMetaProperty.sortByPathVASP(pseudos); |
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This should not know about VASP - we can have something like sortByPathApplicationSpecific(pseudos, appName) inside it for appName "vasp" we should have sortByPathVASP
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Dielectric and other NC workflows were getting GBRV ultrasoft defaults because updateMethodDataByApplicationAndMaterials did not filter by method.subtype and always prioritized /gbrv/ paths. Co-authored-by: Cursor <cursoragent@cursor.com>
| setSubtype(subtype: SlugifiedEntryOrSlug): void { | ||
| this.setProp("subtype", subtype); | ||
| this.setFunctional(this.defaultFunctional); | ||
| this.setFunctional(this.defaultFunctional.slug); |
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We should keep functional as object
| type: "dft", | ||
| subtype: "lda", | ||
| functional: { slug: "pz", name: "pz" }, | ||
| functional: "pz", |
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Should be back to slug, name
timurbazhirov
approved these changes
May 28, 2026
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