relax

SKILLFlujo de trabajocomunidad
v0.0.0jinzhezenggroupLGPL-3.0Actualizado hace 7 dFuente →

Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.

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Skill
Autorjinzhezenggroup
Versión0.0.0
LicenciaLGPL-3.0
CategoríaFlujo de trabajo
Formatosskill.md
PromptNo publicado
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Claude✓ Compatible
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Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.

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