• João Morado's avatar
    Cleanup TinkerReader, ForceField, and amoebaforces (#5080) · 489e2c46
    João Morado authored
    * Fresh branch refactoring the new AMOEBA code
    
    * Finish cleaning up AmoebaAngleForce and AmoebaInPlaneAngleForce
    
    * Cleanup AmoebaTorsionTorsionForce
    
    * Cleanup AmoebaOutOfPlaneBend
    
    * Cleanup AmoebaMultipoleForce
    
    * Remove unnecessary gkForce
    
    * Simplify usage of atomClasses in ForceField
    
    * Formatting
    
    * Fix type of class on WCA
    
    * Simplify angle forces
    
    * Add parsing of units to PiTorsion and StretchBond, and misc. formatting adjustments
    
    * Update code per review feedback
    
    * Clearly defined API for TorsionTorsion,  and correct matching for UB,
    
    * Unindent break statements
    
    * Raise ValueError if classes and types are mixed in a Urey-Bradley term definition
    489e2c46
TestForceField.py 92.5 KB