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[BUG] Cannot convert dipole model from TF to PT #3672
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github-project-automation
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moved this to Todo
in Multiple backend support for DeePMD-kit
Apr 14, 2024
I think I got the reason. Only types in |
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Fix #2103. Migrate three models (se_e2_a, se_e2_r, and fparam_aparam) for the Python unit tests. Fix several bugs. Old files are kept until the C++ tests are also migrated. Note that several models (for example, the dipole model due to #3672) cannot be serialized yet. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit ## Summary by CodeRabbit - **New Features** - Introduced a structured framework for managing and testing models with YAML files. - Added comprehensive configurations for energy calculations and molecular simulations in YAML format. - Implemented new test cases for the `DeepPot` and `DeepPotNeighborList` classes. - **Bug Fixes** - Improved robustness in tensor reshaping, resolving potential dimension mismatches. - **Tests** - Enhanced unit tests with a case-based approach for better adaptability and maintainability. - Consolidated tests by relocating obsolete classes to streamline the test suite. - **Chores** - Updated deserialization functions for better type safety and input handling. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Sep 18, 2024
Fix deepmodeling#2103. Migrate three models (se_e2_a, se_e2_r, and fparam_aparam) for the Python unit tests. Fix several bugs. Old files are kept until the C++ tests are also migrated. Note that several models (for example, the dipole model due to deepmodeling#3672) cannot be serialized yet. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit ## Summary by CodeRabbit - **New Features** - Introduced a structured framework for managing and testing models with YAML files. - Added comprehensive configurations for energy calculations and molecular simulations in YAML format. - Implemented new test cases for the `DeepPot` and `DeepPotNeighborList` classes. - **Bug Fixes** - Improved robustness in tensor reshaping, resolving potential dimension mismatches. - **Tests** - Enhanced unit tests with a case-based approach for better adaptability and maintainability. - Consolidated tests by relocating obsolete classes to streamline the test suite. - **Chores** - Updated deserialization functions for better type safety and input handling. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Bug summary
An error throws when using
dp convert-backend
to convert a frozen dipole model from TF.pb
format to PT.pth
format.DeePMD-kit Version
3eb3d51 (edit mode)
Backend and its version
TF 2.15.0, PT 2.1.2.post300
How did you download the software?
Built from source
Input Files, Running Commands, Error Log, etc.
Steps to Reproduce
cd examples/water_tensor/dipole dp --tf train dipole_input.json dp --tf freeze dp convert-backend frozen_model.pb frozen_model.pth
Further Information, Files, and Links
No response
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