Simpatico  v1.10
Modules
DdMd namespace

Detailed Description

DdMd namespace (parallel domain-decomposition MD)

Modules

 Analyzers
 Classes that implement data analysis or output operations.
 
 Chemical Structure
 Classes that describe atoms, molecules, and groups of atoms.
 
 MPI Communication
 Classes that control interprocessor communication.
 
 ConfigIos
 Config file reader / writers.
 
 MD Integrators
 Molecular dynamics integration algorithms.
 
 Modifiers
 Actions that can modify the state of the system.
 
 Nonbonded Neighbors
 Classes used to keep track of nonbonded neighbors.
 
 Potential Energies
 Classes used to calculate potential energies.
 
 Simulations
 Complete simulations.
 
 Storage
 Containers and iterators for atoms and groups.