[WIP] Handlers for DampedExp6810, AmoebaMultipoleForce, AxilrodTeller potentials

.git-blame-ignore-revs

@@ -1,2 +1,5 @@
 # Some linting
 a597529128b11fd0e2a88e5ec1880409db7fa26d
+
+# Versioneer auto-generated
+94a0ae93bc06fa2e1cef137eec3f7fdefc0f9c01

README.md

@@ -11,6 +11,9 @@ Currently, these include:
 
 * `DampedBuckingham68` - a damped version of the 6-8 buckingham potential proposed by [Tang and Toennies](https://aip.scitation.org/doi/10.1063/1.447150).
 * `DoubleExponential` - a double exponential van der Waals potential proposed by [Man et al](https://doi.org/10.1021/acs.jctc.0c01267)
+* `DampedExp6810` - a damped version of the 6-8-10 exponential repulsion proposed by [Tang and Toennies](https://aip.scitation.org/doi/10.1063/1.447150) with mixing rules from [Smith](https://doi.org/10.1103/PhysRevA.5.1708)
+* `Multipole` - an induced dipole polarizability potential implemented with the AmoebaMultipoleForce in OpenMM
+* `AxilrodTeller` - a three-body dispersion potential proposed by [Axilrod and Teller](https://doi.org/10.1063%2F1.1723844)
 
 ## Installation
 

setup.py

@@ -40,10 +40,16 @@
         "openff.toolkit.plugins.handlers": [
             "DampedBuckingham68Handler = smirnoff_plugins.handlers.nonbonded:DampedBuckingham68Handler",
             "DoubleExponentialHandler = smirnoff_plugins.handlers.nonbonded:DoubleExponentialHandler",
+            "DampedExp6810Handler = smirnoff_plugins.handlers.nonbonded:DampedExp6810Handler",
+            "AxilrodTellerHandler = smirnoff_plugins.handlers.nonbonded:AxilrodTellerHandler",
+            "MultipoleHandler = smirnoff_plugins.handlers.nonbonded:MultipoleHandler",
         ],
         "openff.interchange.plugins.collections": [
             "SMIRNOFFDampedBuckingham68Collection = smirnoff_plugins.collections.nonbonded:SMIRNOFFDampedBuckingham68Collection",
             "DoubleExponentialCollection = smirnoff_plugins.collections.nonbonded:SMIRNOFFDoubleExponentialCollection",
+            "SMIRNOFFDampedExp6810Collection = smirnoff_plugins.collections.nonbonded:SMIRNOFFDampedExp6810Collection",
+            "SMIRNOFFAxilrodTellerCollection = smirnoff_plugins.collections.nonbonded:SMIRNOFFAxilrodTellerCollection",
+            "SMIRNOFFMultipoleCollection = smirnoff_plugins.collections.nonbonded:SMIRNOFFMultipoleCollection",
         ],
     },
 )