…eepmodeling#277)

A system will be able to be labeled by other drivers after they are implemented.

```
DeprecationWarning: Please use `R` from the `scipy.constants` namespace, the `scipy.constants.constants` namespace is deprecated.
    from scipy.constants.constants import R
```

Co-authored-by: Han Wang <amcadmus@gmail.com>

obvious there is a typo

The code read the electronic energy instead of the total SCF energy. This commit fixes it.

* add ML labeling option for vasp ml-aimd OUTCAR

* add test cases for ML labeling OUTCAR

* Update vasp.py

* Update vasp.py

* Update outcar.py

* merge functions of ML labeling and fp labeling

* add and delete necessary comments

* Update outcar.py

Before, only single-point calculation output is supported.

The shape of energies should be (nframes,) instead of (nframes, 1)

…g#290)

deepmodeling#190 added `from_labeled_system`, but it just passes a dict and does nothing else. This commit rewrites it.

Now it is avoided to open the same file multiple times.

otherwise they are not listed in the doc

* add data type; refactor methods

* add DataType to manage types of data
* refactor data checking to check type and shape of data
** fix incorrect data type in some codes
* refactor methods including sub_system, append, sort_atom_types, shuffle, pick_atom_idx, and merge methods in LabeledSystem into those in System

* small fix

* fix the shape of formal_charges. Looks like the docstring is wrong

* remove wrong import

* fix system class in sub_system

…eepmodeling#301)

* adapt abacus/md interface to MD output without stress calculation.

* add unit test for abacus md without stress output.

* Add files via upload

* add assertion failed reason for abacus/md interface

Co-authored-by: LiuRenxi <liurenxi@LiuRenxideMacBook-Pro.local>

* add ase calculator

* add ASEDriver

* add ase_calculator property

* adapt abacus/md interface to MD output without stress calculation.

* add unit test for abacus md without stress output.

* Add files via upload

* add unlabeled read and dump interface for ABACUS STRU format.

* add assertion failed reason for abacus/md interface

* fix open file method

* fix typo; introduce np.testing in abacus tests.

* remove useless if clause

Co-authored-by: LiuRenxi <liurenxi@LiuRenxideMacBook-Pro.local>

fix a small typo in docs