Added 4-particle vecangle potential; untested, and configuration.cpp still needs to build the potential dictionary using type,filename tuples as keys

Changed BondAngle to be the product of the energy of potentials applied to the central bond and two angles formed by four particles

hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago

Conflicts:
	src/Configuration.cpp
	src/GrandBrownTown.cu

hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago

Conflicts:
	src/RandomCUDA.cu

hchou10 authored 7 years ago and cmaffeo2 committed 6 years ago

Conflicts:
	src/Configuration.cpp
	src/GrandBrownTown.cu

Removed deprecated commands from examples; updated default fullLongRange parameter to facilitate deprecation; updated documentation to describe association of grids with rigid body particles

  (1) PairlistDistance is properly passed on to ComputeForce objects;
  (2) Power of 2 threads are now used in particle-grid force reduction;
  (3) Fixed accidental transpose of threads and blocks in grids' particleList kernel call

Fixed bug where pairlistDistance in Confugration.cpp was not being used; problem still remains where CellDecompoisiont ignores pairlistDistance; added IMD forces

Fixed bugs in initialization of Exclusions and in the calculation of forces due to angle potentials . Added coordinate file for RBs. Added normalization of orientation in RB integrator.

Implemented "particleLists" for rigid body--particle interactions; made RigidBodyType class manage its own device data for particle interactions

Fixed issues with coordinate wrapping during integration; improved implementation of select matrix operations

Added logic to angle code to avoid singularity; improved tabulated bonded kernel arguments; commented out (non-working) get_energy code