brucefan1983/GPUMD Issues
A BUG of compute_rdf
Closed 1AEMD
Closed 9ensemble npt and F_e
Closed 4cutoff distance in NEP.txt files
Closed 4Port GPUMD to HIP?
Updated 9full batch for energy training
Closed 2Implement SNES in GPU
ClosedPredict dipole during MD
Closed 7Extend models to higher rank tensors
Updated 2[feature request] deposit
UpdatedCell info in netcdf output
Updated 4Discontinuities in NEP predicted forces
Updated 17Training NEP for mixed dataset
Closed 6PIMD-issue
ClosedCUDA Error code: 700
Closed 7Add LSQT calculations
Closedadd velocity to NetCDF
Closed 14STOF error message
Closed 10Doc for the PLUMED plugin
Closed 1output NEP results to exyz files
Closed 3Different activation functions
Closed 4