From 55847c7a3eb9ae89e474b91d625e036e56e34e43 Mon Sep 17 00:00:00 2001 From: frostedoyster Date: Wed, 11 Sep 2024 18:25:46 +0200 Subject: [PATCH] Fix docs? --- docs/src/dev-docs/utils/additive/composition.rst | 7 +++++++ docs/src/dev-docs/utils/additive/index.rst | 12 ++++++++++++ docs/src/dev-docs/utils/additive/remove_additive.rst | 7 +++++++ docs/src/dev-docs/utils/additive/zbl.rst | 7 +++++++ docs/src/dev-docs/utils/composition.rst | 7 ------- docs/src/dev-docs/utils/index.rst | 2 +- tests/resources/options.yaml | 5 +++-- 7 files changed, 37 insertions(+), 10 deletions(-) create mode 100644 docs/src/dev-docs/utils/additive/composition.rst create mode 100644 docs/src/dev-docs/utils/additive/index.rst create mode 100644 docs/src/dev-docs/utils/additive/remove_additive.rst create mode 100644 docs/src/dev-docs/utils/additive/zbl.rst delete mode 100644 docs/src/dev-docs/utils/composition.rst diff --git a/docs/src/dev-docs/utils/additive/composition.rst b/docs/src/dev-docs/utils/additive/composition.rst new file mode 100644 index 000000000..4499f0c97 --- /dev/null +++ b/docs/src/dev-docs/utils/additive/composition.rst @@ -0,0 +1,7 @@ +Composition model +################# + +.. automodule:: metatrain.utils.additive.composition + :members: + :undoc-members: + :show-inheritance: diff --git a/docs/src/dev-docs/utils/additive/index.rst b/docs/src/dev-docs/utils/additive/index.rst new file mode 100644 index 000000000..10926c7a2 --- /dev/null +++ b/docs/src/dev-docs/utils/additive/index.rst @@ -0,0 +1,12 @@ +Data +==== + +API for handling additive models in ``metatrain``. These are models that +can be added to one or more architectures. + +.. toctree:: + :maxdepth: 1 + + remove_additive + composition + zbl diff --git a/docs/src/dev-docs/utils/additive/remove_additive.rst b/docs/src/dev-docs/utils/additive/remove_additive.rst new file mode 100644 index 000000000..6a115a471 --- /dev/null +++ b/docs/src/dev-docs/utils/additive/remove_additive.rst @@ -0,0 +1,7 @@ +Removing additive contributions +############################### + +.. automodule:: metatrain.utils.additive.remove + :members: + :undoc-members: + :show-inheritance: diff --git a/docs/src/dev-docs/utils/additive/zbl.rst b/docs/src/dev-docs/utils/additive/zbl.rst new file mode 100644 index 000000000..ab0248bde --- /dev/null +++ b/docs/src/dev-docs/utils/additive/zbl.rst @@ -0,0 +1,7 @@ +ZBL short-range potential +######################### + +.. automodule:: metatrain.utils.additive.zbl + :members: + :undoc-members: + :show-inheritance: diff --git a/docs/src/dev-docs/utils/composition.rst b/docs/src/dev-docs/utils/composition.rst deleted file mode 100644 index 0a6cb2a34..000000000 --- a/docs/src/dev-docs/utils/composition.rst +++ /dev/null @@ -1,7 +0,0 @@ -Composition -########### - -.. automodule:: metatrain.utils.composition - :members: - :undoc-members: - :show-inheritance: diff --git a/docs/src/dev-docs/utils/index.rst b/docs/src/dev-docs/utils/index.rst index 3a2d12d07..312ee5342 100644 --- a/docs/src/dev-docs/utils/index.rst +++ b/docs/src/dev-docs/utils/index.rst @@ -6,9 +6,9 @@ This is the API for the ``utils`` module of ``metatrain``. .. toctree:: :maxdepth: 1 + additive/index data/index architectures - composition devices dtype errors diff --git a/tests/resources/options.yaml b/tests/resources/options.yaml index 6ac11eef6..977c68e9f 100644 --- a/tests/resources/options.yaml +++ b/tests/resources/options.yaml @@ -1,9 +1,10 @@ seed: 42 architecture: - name: experimental.nanopet + name: experimental.soap_bpnn training: - batch_size: 8 + batch_size: 2 + num_epochs: 1 training_set: systems: