SOF-7216: deepmd tutorial #265
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lang/en/docs/tutorials/ml/deepmd.md
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| For this demonstration, we create a new structure from the scratch using | ||
| material designer. We use water molecule with simple cubic structure. | ||
| Alternatively, user can import CIF or POSCAR structure files. |
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Should we add pictures for the demonstration steps here and below??
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| @@ -0,0 +1,128 @@ | |||
| # DeePMD Molecular dynamics simulation | |||
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Construct a forcefield with DeepMD and use it in LAMMPS.
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| # DeePMD Molecular dynamics simulation | |||
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deepmd-mlff-with-espresso-cp-and-lammps for the filename
| "deepmd", | ||
| "molecular-dynamics", | ||
| "lammps", | ||
| "cp" |
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We could start a set of tags for:
- molecular-dynamics
- lammps
- deepmd
cp can be added to quantum-espresso
we could also add mlff, forcefield
Also - a separate task to dynamically add a Keywords section to the tutorials page(s) based on the content of the json file.
timurbazhirov
approved these changes
Feb 16, 2024
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