New features:
- support pwmat
- support nopbc
- support init model parameter from old models
- support aniso kspacing for vasp
- support plm_path that defines CV in a separate file
- support checking bad fp confs
- support collect data
- support initializing from an existing model
- support simplify for LabeledSystem and System
- with accurate thresthold, decay number of fp tasks to 0 if it is already accurate enough
- support different activation func for different models
Updates:
- set default multiplicity to auto; add parameter fragment_guesses
- better suppport on deepmd-kit >= v1.1
- tag failures on allow_failure
- better cvasp support
- better ali support
- restart shell by uuid
- restart training if interrupted
- retry slurm commands when failing
Bug fixings:
- error in checking slurm status
- error in ensuring alive
- shell submit script should exit with code 1
- transfer type_map.raw. enforce the the same type_map in the training input.json
- bad surf configurations
- check if the length of batch size list is enough
- auto test user provided INCAR
- getting nframes in make_train
- fix issue 247 add = to flags starting with --
- nve doesn't set the initial temperature