qcsk doc

MolSSI · Apr 24, 2024 · 9ffc3c8 · 9ffc3c8
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diff --git 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
@@ -1,18 +1,71 @@
 
+<!-- ====  Inputs  ================================================================= -->
 
-$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
 
+<!-- ====  Protocols  ============================================================== -->
 
-Pydantic models are simply classes which inherit from `BaseModel` and define fields as annotated attributes.
+<!--
+::: qcmanybody.models.manybody_pydv1.ManyBodyProtocolEnum
 
-::: qcmanybody.models.ManyBodyKeywords
+
+::: qcmanybody.models.manybody_pydv1.ManyBodyProtocols
     options:
         show_root_heading: true
+
+$pydantic: qcmanybody.models.manybody_pydv1.ManyBodyProtocols
+-->
+
+
+<!-- ====  Properties/Outputs  ===================================================== -->
+
+::: qcmanybody.models.ManyBodyResultProperties
+    options:
+        show_root_heading: true
+
+$pydantic: qcmanybody.models.ManyBodyResultProperties
+
+
+::: qcmanybody.models.ManyBodyResult
+    options:
+        show_root_heading: true
+
+$pydantic: qcmanybody.models.ManyBodyResult
+
+
+<!-- ====  Misc.  ================================================================== -->
+
+<!-- $pydantic: qcmanybody.models.manybody_pydv1.AtomicSpecification -->
+<!--
+AtomicSpecification
+ResultsBase
+SuccessfulResultBase
+-->
+
+<!--
+    options:
         merge_init_into_class: false
         group_by_category: false
         # explicit members list so we can set order and include `__init__` easily
@@ -35,6 +88,7 @@ Pydantic models are simply classes which inherit from `BaseModel` and define fie
           - model_validate
           - model_validate_json
           - copy
+-->
 
 ::: qcmanybody.resize_gradient
     options: