update with mattersim command

docs/source/recipes/energy_and_forces.rst

@@ -5,7 +5,7 @@ This recipe is used to test the performance of different models in predicting th
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes metrics --models mace_mp,sevennet,orb_v2,chgnet --datapath ../data/DODH_adsorption_dft.xyz --repro
+   (.venv) $ mlipx recipes metrics --models mace_mp,sevennet,orb_v2,chgnet,mattersim --datapath ../data/DODH_adsorption_dft.xyz --repro
 
 .. mermaid::
    :align: center

docs/source/recipes/energy_volume.rst

@@ -6,7 +6,7 @@ Compute the energy-volume curve for a given material using multiple models.
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes ev --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-1143 --repro
+   (.venv) $ mlipx recipes ev --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-1143 --repro
    (.venv) $ mlipx compare --glob "*EnergyVolumeCurve"
 
 

docs/source/recipes/homonuclear_diatomics.rst

@@ -7,7 +7,7 @@ Homonuclear diatomics give a per-element information on the performance of the :
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes homonuclear-diatomics --models mace_mp,sevennet,orb_v2 --smiles="[Li+].[Cl-]" --repro
+   (.venv) $ mlipx recipes homonuclear-diatomics --models mace_mp,sevennet,orb_v2,mattersim --smiles="[Li+].[Cl-]" --repro
 
 
 You can edit the elements in the :term:`main.py` file to include the elements you want to test.

docs/source/recipes/invariances.rst

@@ -5,7 +5,7 @@ Check the rotational, translational and permutational invariance of an :term:`ml
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes invariances --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-1143 --repro
+   (.venv) $ mlipx recipes invariances --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-1143 --repro
    (.venv) $ mlipx compare --glob "*TranslationalInvariance"
    (.venv) $ mlipx compare --glob "*RotationalInvariance"
    (.venv) $ mlipx compare --glob "*PermutationInvariance"

docs/source/recipes/md.rst

@@ -6,7 +6,7 @@ This recipe is used to test the performance of different models in molecular dyn
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes md --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-1143 --repro
+   (.venv) $ mlipx recipes md --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-1143 --repro
    (.venv) $ mlipx compare --glob "*MolecularDynamics"
 
 

docs/source/recipes/neb.rst

@@ -8,7 +8,7 @@ You can run the following command to instantiate a test directory:
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes neb --models mace_mp,sevennet,orb_v2,chgnet --datapath ../data/neb_end_p.xyz --repro
+   (.venv) $ mlipx recipes neb --models mace_mp,sevennet,orb_v2,chgnet,mattersim --datapath ../data/neb_end_p.xyz --repro
    (.venv) $ zntrack list # show available Nodes
    (.venv) $ mlipx compare --glob "*NEBs"
 

docs/source/recipes/phase_diagram.rst

@@ -6,7 +6,7 @@ You can run the following command to instantiate a test directory:
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes phase-diagram  --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-30084 --repro
+   (.venv) $ mlipx recipes phase-diagram  --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-30084 --repro
    (.venv) $ mlipx compare --glob "*PhaseDiagram"
 
 
@@ -20,6 +20,7 @@ You can run the following command to instantiate a test directory:
    plots["orb_v2_0-phase-diagram"].show()
    plots["sevennet_0-phase-diagram"].show()
    plots["chgnet_0-phase-diagram"].show()
+   plots["mattersim_0-phase-diagram"].show()
 
 
 This test uses the following Nodes together with your provided model in the :term:`models.py` file:

docs/source/recipes/pourbaix_diagram.rst

@@ -9,7 +9,7 @@ Pourbaix Diagram
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes pourbaix-diagram  --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-1143 --repro
+   (.venv) $ mlipx recipes pourbaix-diagram  --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-1143 --repro
    (.venv) $ mlipx compare --glob "*PourbaixDiagram"
 
 
@@ -23,6 +23,7 @@ Pourbaix Diagram
    plots["orb_v2_0-pourbaix-diagram"].show()
    plots["sevennet_0-pourbaix-diagram"].show()
    plots["chgnet_0-pourbaix-diagram"].show()
+   plots["mattersim_0-pourbaix-diagram"].show()
 
 This test uses the following Nodes together with your provided model in the :term:`models.py` file:
 

docs/source/recipes/relax.rst

@@ -8,7 +8,7 @@ This recipe is used to test the performance of different models in performing st
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes relax --models mace_mp,sevennet,orb_v2,chgnet --material-ids=mp-1143 --repro
+   (.venv) $ mlipx recipes relax --models mace_mp,sevennet,orb_v2,chgnet,mattersim --material-ids=mp-1143 --repro
    (.venv) $ mlipx compare --glob "*StructureOptimization"
 
 .. note::

docs/source/recipes/vibrational_analysis.rst

@@ -6,7 +6,7 @@ You can run the following command to instantiate a test directory:
 
 .. code-block:: console
 
-   (.venv) $ mlipx recipes vibrational-analysis --models mace_mp,sevennet,orb_v2 --smiles=CO,CCO,CCCO,CCCCO
+   (.venv) $ mlipx recipes vibrational-analysis --models mace_mp,sevennet,orb_v2,mattersim --smiles=CO,CCO,CCCO,CCCCO
 
 The vibrational analysis method needs additional information to run.
 Please edit the ``main.py`` file and set the ``system`` parameter on the ``VibrationalAnalysis`` node.