dpdata-minimizer

SKILLWorkflowcommunauté
v0.0.0jinzhezenggroupLGPL-3.0Mis à jour il y a 7 jSource →

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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il y a 7 jDernière mise à jour
Skill
Auteurjinzhezenggroup
Version0.0.0
LicenceLGPL-3.0
CatégorieWorkflow
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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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