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Improve Spirit parser #8

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PhilippRue opened this issue Jul 27, 2021 · 0 comments
Open

Improve Spirit parser #8

PhilippRue opened this issue Jul 27, 2021 · 0 comments
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enhancement New feature or request

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@PhilippRue
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So far the spirit parser only takes some basics. This should be improved. See also discussion in issue #4:

Other useful outputs might be:
For LLG (Dynamics) (meaning LLG with any solver that is not VP/LBFGS and direct_minimization=false)

Snapshots of the spin configuration at different time intervals

  • Energies at different time intervals

For LLG (Minimization) (So we probably expect some metastable configurations)

  • The profile/radius (thinking of Skyrmions)

  • Topological charge

For GNEB

  • The saddle point configuration/energies

  • Energy barrier

For HTST

  • All of the quantities in htst_info

  • Eigenvalues/Eigenvectors (if non sparse calculation)

MC

  • Critical temperatures (requires post processing, so maybe a bit out of scope)
  • Ground state spin configuration (simulated annealing + final minimization with LLG) (How to control convergence?)
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