DeePMD-kit
v1.3.0
Contents:
Download and install
Use DeePMD-kit
Training parameters
pair_style deepmd command
DeePMD-kit API
DeePMD-kit
Docs
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DeePMD-kit’s documentation
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DeePMD-kit’s documentation
¶
Contents:
Download and install
Easy installation methods
Install the python interface
Install the C++ interface
Use DeePMD-kit
Prepare data
Train a model
Freeze a model
Test a model
Model inference
Run MD with LAMMPS
Run path-integral MD with i-PI
Use deep potential with ASE
Training parameters
pair_style deepmd command
Syntax
Examples
Description
Restrictions
DeePMD-kit API
Indices and tables
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Index
Module Index
Search Page
Read the Docs
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