Weekly Progress of DeePMD-kit 20221212

[HuangJiameng]

What's new

• Update python.md #2158
• support DPRc + type embedding #2166
• pass user defined CUDA_NVCC_FLAGS and HIP_HIPCC_FLAGS  #2168

Issue

• Out Of Memory Error using Python interface #2145
• Error Running with GPU: no kernel image is available for execution/operation received an exception #2154

Discussion

• transfer learning with DeePMD #2160
• Installing the plumed-devel version #2161
• atomic_dipole.npy dataset #2165
• Long range electrostatic, charge fitting #255
• Error of out of memery (GPU) for running a big model(about 50,000 water molecules) in the lammps using the deepmd-kit freeze model #2167
• Input Script Validation #2173
• Problems in the process of potential model training #2171