DeltaSpin machine-learning model verification toolkits

Files

The correspondence between file name and the code of figure is listed below

file name	figure
spin_flip_scan_vol.py	6(b)
spin_flip_const_vol.py	6(c)
magmom_exch_const.py	7(a)
magnon_spectrum.py	7(b)
phonon.py	S?

NOTE: There is also a code to calculate the elastic properties, by elastic.py.

There are files in which basic functions are implemented, for user do not need to take care, they are:

• utils.py
• abacus.py
• deltaspin.py

Usage

Please read the leading instruction in each file. All codes can be run and produce figure directly after a proper assignment of parameters.

For each code, please always read the lines in

if __name__ == '__main__':
    # ...

block.

NOTE: before running all these codes, please make sure the proper conda virtual environment has been activated. Not:

(base) /path/to/your/work/folder:~

Instead,

(DeltaSpin_devel) /path/to/your/work/folder:~

. To activate the environment with specific name (e.g., DeltaSpin_devel), in your prompt:

conda activate DeltaSpin_devel