dpdata-minimizer

SKILLWorkflowCommunity
v0.0.0jinzhezenggroupLGPL-3.0Aktualisiert vor 7 TQuelle →

Minimize geometries with dpdata minimizer plugins via System.minimize(), including how minimizers relate to drivers (ASEMinimizer needs a dpdata Driver) and how to list supported minimizers (ase/sqm). Use when doing geometry optimization/minimization through dpdata Python API.

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128Repo-Sterne
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vor 7 TLetzte Aktualisierung
Skill
Autorjinzhezenggroup
Version0.0.0
LizenzLGPL-3.0
KategorieWorkflow
Formateskill.md
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Minimize geometries with dpdata minimizer plugins via System.minimize(), including how minimizers relate to drivers (ASEMinimizer needs a dpdata Driver) and how to list supported minimizers (ase/sqm). Use when doing geometry optimization/minimization through dpdata Python API.

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