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Simpatico
v1.10
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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. | |
1.8.11