@@ -64,10 +64,10 @@ Most recipes support different input formats, such as data file paths, `SMILES`
6464
6565# ## Energy-Volume Curve
6666
67- Compute an energy-volume curve using the ` mp-1143` structure from the Materials Project and MLIPs such as ` mace-mp ` , ` sevennet` , and ` orb_v2 ` :
67+ Compute an energy-volume curve using the ` mp-1143` structure from the Materials Project and MLIPs such as ` mace-mpa-0 ` , ` sevennet` , and ` orb-v2 ` :
6868
6969` ` ` bash
70- mlipx recipes ev --models mace_mp ,sevennet,orb_v2 --material-ids=mp-1143 --repro
70+ mlipx recipes ev --models mace-mpa-0 ,sevennet,orb-v2 --material-ids=mp-1143 --repro
7171mlipx compare --glob " *EnergyVolumeCurve"
7272```
7373
@@ -89,7 +89,7 @@ Below is an example of the resulting comparison:
8989Compare the performance of different models in optimizing multiple molecular structures from ` SMILES ` representations:
9090
9191``` bash
92- mlipx recipes relax --models mace_mp ,sevennet,orb_v2 --smiles " CCO,C1=CC2=C(C=C1O)C(=CN2)CCN" --repro
92+ mlipx recipes relax --models mace-mpa-0 ,sevennet,orb-v2 --smiles " CCO,C1=CC2=C(C=C1O)C(=CN2)CCN" --repro
9393mlipx compare --glob " *0_StructureOptimization"
9494mlipx compare --glob " *1_StructureOptimization"
9595```
@@ -102,7 +102,7 @@ mlipx compare --glob "*1_StructureOptimization"
102102Run and compare nudged elastic band (NEB) calculations for a given start and end structure:
103103
104104``` bash
105- mlipx recipes neb --models mace_mp ,sevennet,orb_v2 --datapath ../data/neb_end_p.xyz --repro
105+ mlipx recipes neb --models mace-mpa-0 ,sevennet,orb-v2 --datapath ../data/neb_end_p.xyz --repro
106106mlipx compare --glob " *NEBs"
107107```
108108
0 commit comments