Merge pull request #25 from openforcefield/openmm-per-mol

Use default string formatting, add more units for OpenMM compatibility
openforcefield · May 2, 2022 · 132c545 · 132c545
2 parents ecf544a + a039f88
commit 132c545
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diff --git a/openff/units/data/defaults.txt b/openff/units/data/defaults.txt
@@ -133,6 +133,12 @@ joule_per_mole = joule / mol
 calories_per_mole = calorie / mol
 joules_per_mole = joule / mol
 
+# OpenMM compatibility
+kilocalorie_per_mole = kilocalorie / mol
+kilojoule_per_mole = kilojoule / mol
+kilocalories_per_mole = kilocalorie / mol
+kilojoules_per_mole = kilojoule / mol
+
 # Momentum
 [momentum] = [length] * [mass] / [time]
 

diff --git a/openff/units/units.py b/openff/units/units.py
@@ -68,7 +68,6 @@ def _dask_finalize(results, func, args, units):
 DEFAULT_UNIT_REGISTRY.Measurement = Measurement
 
 pint.set_application_registry(DEFAULT_UNIT_REGISTRY)
-DEFAULT_UNIT_REGISTRY.default_format = "~"
 
 with warnings.catch_warnings():
     warnings.simplefilter("ignore")