merge devel into master#110
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fix bug in lammps/dump, fractional coord should not shift origin
fix bug of to_ase_structure in deepmodeling#98
fix fhi-aims bug
fix bug in deepmd/npy: error when size of energy is 1
Method MultiSystem.from_dir support type_map && sorted glob.glob
convert LabeledSystem to ComputedStructureEntry
from deepmd for MultiSystems
predict MultiSystems
fix double count bug
Update with upstream
bug fix to help your pull request && modify set subtraction
Sort atom according to the type_map in Multisystem
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