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It can be found that 3010 structures are generated in `iter.000001`, in which no structure is collected for first-principle calculations. Therefore, the final models are not updated in iter.000002/00.train.
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## Auto-test
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The function, `auto-test`, is only for alloy materials to verify the accuracy of their DP model, users can calculate a simple set of properties and compare the results with those of a DFT or traditional empirical force field. DPGEN's autotest module supports the calculation of a variety of properties, such as
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- 00.equi:(default task) the equilibrium state;
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- 01.eos: the equation of state;
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- 02.elastic: the elasticity like Young's module;
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- 03.vacancy: the vacancy formation energy;
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- 04.interstitial: the interstitial formation energy;
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- 05.surf: the surface formation energy.
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### Simplify
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## Simplify
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When you have a dataset containing lots of repeated data, this step will help you simplify your dataset.Since `dpgen simplify` is proformed on a large dataset, only a simple demo will be provided in this part.
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To learn more about simplify, you can refer to [DPGEN's Document](https://docs.deepmodeling.com/projects/dpgen/en/latest/)
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3. Please check the path and files name and make sure they are correct.
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Simplify can be used in Transfer Learning, see [CaseStudies: Transfer-learning](../../../CaseStudies/Transfer-learning/index.html)
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=======
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## Auto-test
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The function, `auto-test`, is only for alloy materials to verify the accuracy of their DP model, users can calculate a simple set of properties and compare the results with those of a DFT or traditional empirical force field. DPGEN's autotest module supports the calculation of a variety of properties, such as
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- 00.equi:(default task) the equilibrium state;
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- 01.eos: the equation of state;
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- 02.elastic: the elasticity like Young's module;
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- 03.vacancy: the vacancy formation energy;
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- 04.interstitial: the interstitial formation energy;
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- 05.surf: the surface formation energy.
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In this part, the Al-Mg-Cu DP potential is used to illustrate how to automatically test DP potential of alloy materials. Each `auto-test` task includes three stages:
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-`make` prepares all required calculation files and input scripts automatically;
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-`run` can help submit calculation tasks to remote calculation plantforms and when calculation tasks are completed, will collect results automatically;
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