dpdata-minimizer

SKILLWorkflowcommunity
v0.0.0jinzhezenggroupLGPL-3.0Updated 2d agoSource →

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 stars
1Clients
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2d agoLast update
Skill
Authorjinzhezenggroup
Version0.0.0
LicenseLGPL-3.0
CategoryWorkflow
Formatsskill.md
PromptNot published
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Claude✓ Supported
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About

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.

Keywords
skillclaude