Skip to content

Commit

Permalink
Fix Simulation engines card text
Browse files Browse the repository at this point in the history
  • Loading branch information
Luthaf committed Sep 12, 2024
1 parent c0ff40b commit 64196d5
Showing 1 changed file with 9 additions and 7 deletions.
16 changes: 9 additions & 7 deletions docs/src/atomistic/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -46,22 +46,24 @@ models, look into the (work in progress!) metatrain_ project instead.
Learn how to define your own models using metatensor, and how to use
these models to run simulation in various simulation engines.

.. grid-item-card:: TODO: ENGINES
:link: atomistic-models-engines
.. grid-item-card:: 📋 Standard models outputs
:link: atomistic-models-outputs
:link-type: ref
:columns: 12 12 6 6
:margin: 0 3 0 0

TODO
Understand the different outputs a model can have, and what the metadata
should be for standardized outputs, such as the potential energy.

.. grid-item-card:: 📋 Standard models outputs
:link: atomistic-models-outputs
.. grid-item-card:: ⚙️ Simulation engines
:link: atomistic-models-engines
:link-type: ref
:columns: 12 12 6 6
:margin: 0 3 0 0

Understand the metadata convention for specific models outputs, such as
the potential energy.
Explore the various simulation softwares that can use metatensor models,
and what each one of them can do, from running molecular dynamics
simulations to interactive dataset exploration.

.. grid-item-card:: |Python-16x16| Python API reference
:link: python-api-atomistic-models
Expand Down

0 comments on commit 64196d5

Please sign in to comment.