• Emilio Gallicchio's avatar
    Variable distance-based displacements for ATMForce (#4776) · 3645e1ee
    Emilio Gallicchio authored
    
    
    * Variable displacements based on particle positions
    
    * set variable displacements when adding particles
    
    * update documentation
    
    * address compilation error in OpenMMFortranWrapper
    
    * update python API tests
    
    * fix stray 'and'
    
    * addParticle() without arguments add a particle that is not displaced
    
    * pack displacement particles into int4
    
    * put back default displacement removed in error
    
    * ATMForce interface with coordinate transformation objects
    
    * revise variable displacement API
    
    * documentation, formatting, serialization
    
    * Fixed C and Fortran wrappers
    
    * Fixed Python wrappers
    
    * Fixed factory
    
    * Sort files to ensure classes are listed in the correct order
    
    * Converted APIUnits test to new ATMForce API
    
    * write class name
    
    * skip the documentation for forward declarations
    
    * undo 9e91d0b since it does not fix the doc build
    
    * remove temporary doc files for nested classes
    
    * Clean away tabs
    
    ---------
    Co-authored-by: default avatarPeter Eastman <peastman@stanford.edu>
    3645e1ee
ReferenceKernels.cpp 143 KB