File tree Expand file tree Collapse file tree 1 file changed +12
-0
lines changed Expand file tree Collapse file tree 1 file changed +12
-0
lines changed Original file line number Diff line number Diff line change @@ -58,6 +58,8 @@ print(value_roundtrip)
5858
5959## Current Development
6060
61+ - [ PR #1277 ] ( https://github.com/openforcefield/openff-toolkit/pull/1277 ) : Adds support for version
62+ 0.4 of the ` <Electrostatics> ` section of the SMIRNOFF specification.
6163- [ PR #1250 ] ( https://github.com/openforcefield/openff-toolkit/pull/1250 ) : Adds support for
6264 ` return_topology ` in the Interchange code path in
6365 [ ` create_openmm_system ` ] ( openff.toolkit.typing.engines.smirnoff.ForceField.create_openmm_system ) .
@@ -94,6 +96,16 @@ print(value_roundtrip)
9496
9597### Behaviors changed and bugfixes
9698
99+ - [ PR #1277 ] ( https://github.com/openforcefield/openff-toolkit/pull/1277 ) : Version 0.3 ` <Electrostatics> `
100+ sections of OFFXML files will automatically be up-converted (in memory) to version 0.4 according
101+ to the recomendations provided in
102+ [ OFF-EP 0005] ( https://openforcefield.github.io/standards/enhancement-proposals/off-ep-0005/ ) . Note
103+ this means the ` method ` attribute is replaced by ` periodic_potential ` , ` nonperiodic_potential ` ,
104+ and ` exception_potential ` .
105+ - [ PR #1277 ] ( https://github.com/openforcefield/openff-toolkit/pull/1277 ) : Fixes a bug in which
106+ attempting to convert
107+ [ ` ElectrostaticsHandler.switch_width ` ] ( openff.toolkit.typing.engines.smirnoff.parameters.ElectrostaticsHandler )
108+ did nothing.
97109- [ PR #1130 ] ( https://github.com/openforcefield/openforcefield/pull/1130 ) : Running unit tests will
98110 no longer generate force field files in the local directory.
99111- [ PR #1182 ] ( https://github.com/openforcefield/openforcefield/pull/1182 ) : Removes ` Atom.element ` ,
You can’t perform that action at this time.
0 commit comments