Weekly Progress of DeePMD-kit 20220815

[HuangJiameng]

What's new

#1851 add variant info to output message
#1854 generate author list from git

Issues

#1848 Running LAMMPS with plugin-loaded deepmd raises error
Only DeePMD-kit v2.1.3 supports the LAMMPS 23 Jun 2022.
Note that v2.1.3 was only built with Python 3.8-3.10.

Discussion

#1856
You can change start_pref_v and limit_pref_v to train virials according to your data if you want to increase accuracy of pressure in lammps simulation using deepmd potential model.
#1852
A discussion about visualizing the high-dimensional data from the DeePMD neural network.
#1831
Welcome @AnuragKr!
If you interest in:

1. How Deep Neural Network scaled On GPU in the current code base.
2. How did we do the benchmark for DNN?
3. Any Relevant research paper we are referring to for the scaling attention model.
   check out Info About New Features Still Need to be Added To This Framework #1831 to learn more.

#1853
The solution is to add -DLAMMPS_VERSION_NUMBER=20220623 in CMAKE_CXX_FLAGS and follow the flags defined in env.sh.