deepmodeling / deepmodeling/dpdata
[Feature Request] Obtaining global and atomic dipole data from ab initio softwares
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enhancement
- Dominant language
- Python
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- 4d 1h
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Description
**Summary**
Since in dpmd v2.0.0, tensor like dipole is supported, I am wondering if tensor data prep is under the way.
**Detailed Description**
I am conducting ab initio calculations based on Gaussian16. But I am not sure how to get the global and atomic dipole data including the units used in DPMD.
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