GPUMD-v3.7

• Bugfix:
  • fixed a bug for the plumed interface #395
  • fixed some bugs for the prediction mode in nep.in. #391 #366
• Enhancement
  • Changed the default of basis_size from 8 8 to 12 12 #402
  • Documented the plumed interface #394
  • Sped up NEP training with fullbatch #388
  • Improved the virial_train.out and virial_test.out file format: they have 12 instead of 2 columns now. #399
  • Warned for too small energy values in the training/test data sets #378
• New features:
  • added an active-learning scheme for NEP training #396
  • Added an option to speed up MD simulations with NEP using tabulated radial functions #392