HDNNP
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Contents:
What is HDNNP?
How to install HDNNP
How to use HDNNP
Execution example
Modules
Dataset tools
File parsing tools
hdnnpy.format.xyz.parse_xyz
Neural network potential models
Pre-processing of dataset
Chainer-based training tools
Utilities
How to extend HDNNP
HDNNP
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Modules
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File parsing tools
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File parsing tools
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parse_xyz
Parse a xyz format file and bunch structures by the same tag.