shuaijiang-ustc

[Feature Request] Obtaining global and atomic dipole data from ab initio softwares

4

**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...

### Summary Including long-range interactions by dipole moments, so that interactions among gas phase molecules can be properly described. ### Detailed Description Currently, DPLR includes long-range interactions through maximally localized...

[Feature Request] Obtaining global and atomic dipole data from ab initio softwares

6

**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...