From 9ffc3c8260b9f023bd9bb966487c99c8b577fe0e Mon Sep 17 00:00:00 2001 From: Lori Burns Date: Wed, 24 Apr 2024 01:58:33 -0400 Subject: [PATCH] qcsk doc --- codecov.yml | 1 + docs/qcschema.md | 62 ++++++++++++++++++++++++++++++++++++++++++++---- 2 files changed, 59 insertions(+), 4 deletions(-) diff --git a/codecov.yml b/codecov.yml index 051bda6..58cb87b 100644 --- a/codecov.yml +++ b/codecov.yml @@ -2,6 +2,7 @@ coverage: ignore: - qcmanybody/tests/component_data - qcmanybody/tests/ref_data + - qcmanybody/tests/generate_component_data.py status: project: default: diff --git a/docs/qcschema.md b/docs/qcschema.md index fe3be9c..098d860 100644 --- a/docs/qcschema.md +++ b/docs/qcschema.md @@ -1,18 +1,71 @@ + -$pydantic: qcmanybody.models.manybody_pydv1.AtomicSpecification +::: qcmanybody.models.BsseEnum +::: qcmanybody.models.ManyBodyKeywords + options: + show_root_heading: true + +$pydantic: qcmanybody.models.manybody_pydv1.ManyBodyKeywords + + +::: qcmanybody.models.manybody_pydv1.ManyBodySpecification + options: + show_root_heading: true + +$pydantic: qcmanybody.models.manybody_pydv1.ManyBodySpecification + + +::: qcmanybody.models.ManyBodyInput + options: + show_root_heading: true + $pydantic: qcmanybody.models.manybody_pydv1.ManyBodyInput -### ManyBodyKeywords + -Pydantic models are simply classes which inherit from `BaseModel` and define fields as annotated attributes. + + + + + +::: qcmanybody.models.ManyBodyResultProperties + options: + show_root_heading: true + +$pydantic: qcmanybody.models.ManyBodyResultProperties + + +::: qcmanybody.models.ManyBodyResult + options: + show_root_heading: true + +$pydantic: qcmanybody.models.ManyBodyResult + + + + + + + + ::: qcmanybody.resize_gradient options: