Weekly Progress of DP-GEN 20220926

[HuangJiameng]

What's new

• optimize document and error report based on FAQs #967

Discussion

• I got an error when running in_bulk #964
  Please try the new version of dpgen(or dpdispatcher) first if you get into any trouble.
• Error with dpgen autotest post during relaxation #965
  DeePMD-kit 2.1.3 is sometimes incompatible with dpgen autotest post(version 0.10.4). However, 2.1.1 works well with dpgen autotest 0.10.4.
• how to restart the dpgen process? #968
• Can we shuffle dataset first and then split the dataset into training set and validation set? #649
• dpgen, tutorials running problem #962

Dependency

Dpdata

3dmol format for visualization in jupyter
COOL! Why not try it?