Weekly Progress of DP-GEN 20221212

[HuangJiameng]

Issue

• dpgen v0.11.0 incompatible with pwscf #1067

Discussion

• Problems with the dpgen run process #1069
  Four potential functions were trained in the first round of iterations, one of which was not trained well, and whether it was possible to train only three well-trained potential functions in the next iterations.
• During the model_devi process, an error occurred that lost atoms #1071
  This problem may be due to insufficient training. I want to continue running for the next iteration. How can I solve this problem？
• Problems with the dpgen init process #1073
  When I run “dpgen init_bulk ch4.json" for the examples of source code , the following error occurs:Invalid format:'ch4.poscar.01x01x01/00.place_ele/poscar'

Dependency

dpdata

Update README.md: add 'abacus/stru' format key