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MagCalc calculates finite temperatures properties such as: magnetization, entropies (magnetic, lattice and total), free energies and others as functions of temperature and applied magnetic field.

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MagCalc

MagCalc calculates finite temperatures properties such as: magnetization, entropies (magnetic, lattice and total), free energies and others as functions of temperature and applied magnetic field.

requirements

  • python3
  • numpy
  • scipy
  • matplotlib
  • pyyaml

usage

By executing the program with:

python main.py

a prompted will appear to choose which of the materials defined in magcalc/configuration.yaml you want to use.

Alternatively the name of the material can be passed as an argument to --name which skips the prompt, e.g.,

python main.py --name Gd5Si2Ge2

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MagCalc calculates finite temperatures properties such as: magnetization, entropies (magnetic, lattice and total), free energies and others as functions of temperature and applied magnetic field.

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