dpdata-minimizer

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

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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hace 7 dÚltima actualización
Skill
Autorjinzhezenggroup
Versión0.0.0
LicenciaLGPL-3.0
CategoríaFlujo de trabajo
Formatosskill.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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