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Overview
Overview
Command line interface
Code Structure
Workflow
Run
Overview of the Run process
Example-of-param.json
Example of machine.json
dpgen run param parameters
dpgen run machine parameters
Init
Init_bulk
dpgen init_bulk parameters
dpgen init_bulk machine parameters
Init_surf
dpgen init_surf parameters
dpgen init_surf machine parameters
init_reaction
dpgen init_reaction parameters
dpgen init_reaction machine parameters
Simplify
Simplify
dpgen simplify parameters
dpgen simplify machine parameters
Auto test
Autotest Overview: Autotest for Deep Generator
Relaxation
Relaxation get started and input examples
Relaxation make
Relaxation run
Relaxation post
Property
Property get started and input examples
Property make
Property run
Property-post
Properties
EOS get started and input examples
EOS make
EOS run
EOS post
Elastic get started and input examples
Elastic make
Elastic run
Elastic post
Vacancy get started and input examples
Vacancy make
Vacancy run
Vacancy post
Interstitial get started and input examples
Interstitial make
Interstitial run
Interstitial post
Surface get started and input examples
Surface make
Surface run
Surface post
Refine
Refine get started and input examples
Refine make
Refine run
Refine post
Reproduce
Reproduce get started and input examples
Reproduce make
Reproduce run
Reproduce post
Tutorial
Tutorials
Publications
User Guide
User Guide
Discussions：
Troubleshooting
Common Errors
Contributing Guide
Contributing Guide
Contributing Guide
Contribution
DP-GEN API
dpgen package
dpgen.auto_test package
dpgen.auto_test.lib package
dpgen.collect package
dpgen.data package
dpgen.data.tools package
dpgen.database package
dpgen.dispatcher package
dpgen.generator package
dpgen.generator.lib package
dpgen.remote package
dpgen.simplify package
dpgen.tools package
Authors
.rst
.pdf
Reproduce
Reproduce
#
Reproduce get started and input examples
Reproduce make
Reproduce run
Reproduce post
