Merge Doped/PyScFermi backends to FermiSolver, docstring fleshing…

… out, formatting etc
SMTG-Bham · Aug 11, 2024 · 62f65e5 · 62f65e5
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diff --git a/docs/Tutorials.rst b/docs/Tutorials.rst
@@ -15,6 +15,6 @@ tutorials:
  thermodynamics_tutorial
  chemical_potentials_tutorial
  advanced_analysis_tutorial
- py_sc_fermi_interface_tutorial
+ fermisolver_tutorial
  plotting_customisation_tutorial
  GGA_workflow_tutorial
diff --git a/docs/fermisolver_tutorial.ipynb b/docs/fermisolver_tutorial.ipynb
@@ -0,0 +1 @@
+../examples/fermisolver_tutorial.ipynb
diff --git a/docs/py_sc_fermi_interface_tutorial.ipynb b/docs/py_sc_fermi_interface_tutorial.ipynb
diff --git a/doped/interface/fermi_solver.py b/doped/interface/fermi_solver.py
diff --git a/doped/thermodynamics.py b/doped/thermodynamics.py
@@ -1679,7 +1679,7 @@ def get_quenched_fermi_level_and_concentrations(
  defects/charge states are considered fixed and some are allowed to
  re-equilibrate (e.g. highly mobile Li vacancies/interstitials). Modelling
  these specific cases is demonstrated in:
- https://doped.readthedocs.io/en/latest/py_sc_fermi_interface_tutorial.html
+ https://doped.readthedocs.io/en/latest/fermisolver_tutorial.html
 
  This function works by calculating the self-consistent Fermi level and total
  concentration of each defect at the annealing temperature, then fixing the

diff --git a/...ples/py_sc_fermi_interface_tutorial.ipynb → examples/fermisolver_tutorial.ipynb b/...ples/py_sc_fermi_interface_tutorial.ipynb → examples/fermisolver_tutorial.ipynb
diff --git a/examples/thermodynamics_tutorial.ipynb b/examples/thermodynamics_tutorial.ipynb
@@ -1938,7 +1938,7 @@
  "```{tip}\n",
  "The ’frozen defect’ approximation illustrated in these examples may not be totally applicable in cases where the material is slowly cooled from the annealing temperatures (allowing quasi-equilibrium to be attained at lower temperatures) or for highly-mobile defects which can migrate and potentially annihilate at room/operating temperatures (e.g. Li in battery materials). \n",
  "\n",
- "In such cases, more detailed/complex models are required to accurately predict the defect and carrier thermodynamics and electronic response. The advanced methods in [`doped.interface.fermi_solver`](https://github.com/SMTG-Bham/doped/blob/dopey_fermi/examples/py_sc_fermi_interface_tutorial.ipynb) can be used for these more complex analyses.\n",
+ "In such cases, more detailed/complex models are required to accurately predict the defect and carrier thermodynamics and electronic response. The advanced methods in [`doped.interface.fermi_solver`](https://github.com/SMTG-Bham/doped/blob/dopey_fermi/examples/fermisolver_tutorial.ipynb) can be used for these more complex analyses.\n",
  "```"
  ]
  },