0.13.0 releasenotes and docs spot check (#1596)

openforcefield · Apr 26, 2023 · 6a12d8a · 6a12d8a
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diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -6,7 +6,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
 * `minor` increments add features but do not break API compatibility
 * `micro` increments represent bugfix releases or improvements in documentation
 
-## Current development
+## 0.13.0
 
 ### New features
 - [PR #1567](https://github.com/openforcefield/openff-toolkit/pull/1567): Allows setting `Molecule.name` in `Molecule.from_smiles`, `from_inchi`, `from_polymer_pdb`, and `from_pdb_and_smiles`.

diff --git a/docs/users/developing.md b/docs/users/developing.md
@@ -214,20 +214,20 @@ The OpenMM implementation provided by the OpenFF Toolkit either produces an `ope
 Exceptions are raised when parameters are incompatible with OpenMM (`IncompatibleParameterError`) or otherwise against spec (`SMIRNOFFSpecError`), and also when they are appropriate for the spec but not yet implemented in the toolkit (`SMIRNOFFSpecUnimplementedError`).
 This table describes which [`NonbondedMethod`](http://docs.openmm.org/latest/userguide/application.html?highlight=ljpme#nonbonded-interactions) is used in the produced `NonbondedForce`, or else which exception is raised.
 
-| vdw_method | electrostatics_method | periodic | OpenMM Nonbonded method or exception | Common case |
-|------------|-----------------------|----------|--------------------------------------|---|
-| cutoff     | Coulomb               | True     | raises `IncompatibleParameterError`
-| cutoff     | Coulomb               | False    | `openmm.NonbondedForce.NoCutoff`
-| cutoff     | reaction-field        | True     | raises `SMIRNOFFSpecUnimplementedError`
-| cutoff     | reaction-field        | False    | raises `SMIRNOFFSpecError`
-| cutoff     | PME                   | True     | `openmm.NonbondedForce.PME` | * |
-| cutoff     | PME                   | False    | `openmm.NonbondedForce.NoCutoff`
-| LJPME      | Coulomb               | True     | raises `IncompatibleParameterError`
-| LJPME      | Coulomb               | False    | `openmm.NonbondedForce.NoCutoff`
-| LJPME      | reaction-field        | True     | raises `IncompatibleParameterError`
-| LJPME      | reaction-field        | False    | raises `SMIRNOFFSpecError`
-| LJPME      | PME                   | True     | `openmm.NonbondedForce.LJPME`
-| LJPME      | PME                   | False    | `openmm.NonbondedForce.NoCutoff`
+| vdw_method | electrostatics_method | periodic | OpenMM Nonbonded method or exception    | Common case |
+|------------|-----------------------|----------|-----------------------------------------|-------------|
+| cutoff     | Coulomb               | True     | raises `IncompatibleParameterError`     |             |
+| cutoff     | Coulomb               | False    | `openmm.NonbondedForce.NoCutoff`        |             |
+| cutoff     | reaction-field        | True     | raises `SMIRNOFFSpecUnimplementedError` |             |
+| cutoff     | reaction-field        | False    | raises `SMIRNOFFSpecError`              |             |
+| cutoff     | PME                   | True     | `openmm.NonbondedForce.PME`             | *           |
+| cutoff     | PME                   | False    | `openmm.NonbondedForce.NoCutoff`        |             | 
+| LJPME      | Coulomb               | True     | raises `IncompatibleParameterError`     |             |
+| LJPME      | Coulomb               | False    | `openmm.NonbondedForce.NoCutoff`        |             | 
+| LJPME      | reaction-field        | True     | raises `IncompatibleParameterError`     |             |
+| LJPME      | reaction-field        | False    | raises `SMIRNOFFSpecError`              |             |
+| LJPME      | PME                   | True     | `openmm.NonbondedForce.LJPME`           |             |
+| LJPME      | PME                   | False    | `openmm.NonbondedForce.NoCutoff`        |             | 
 
 Notes:
 * The most commonly-used case (including the Parsley line) is in the fifth row (cutoff vdW, PME electrostatics, periodic topology) and marked with an asterisk.
@@ -397,8 +397,8 @@ The CI matrix is currently as follows:
 +-----------------------+------------+-----------+-------------+------------+-----------+-------------+
 | Python 3.10           | **Test**   | Skip      | Skip        | **Test**   | Skip      | Skip        |
 +-----------------------+------------+-----------+-------------+------------+-----------+-------------+
-| Python 3.11 and newer | Pending upstream support                           |
+| Python 3.11 and newer | Pending upstream support                                                    |
 +-----------------------+------------+-----------+-------------+------------+-----------+-------------+
-| Python 3.12 and newer | Pending official releases and upstream support
+| Python 3.12 and newer | Pending official releases and upstream support                              | 
 +-----------------------+------------+-----------+-------------+------------+-----------+-------------+
 :::