|
file | domdec.cpp |
|
file | domdec.h |
| This file declares functions for mdrun to call to manage the details of its domain decomposition.
|
|
file | domdec_box.cpp |
| This file defines functions used by the domdec module for (bounding) box and pbc information generation.
|
|
file | domdec_constraints.cpp |
| This file implements functions for domdec to use while managing inter-atomic constraints.
|
|
file | domdec_constraints.h |
| This file declares functions for domdec to use while managing inter-atomic constraints.
|
|
file | domdec_internal.h |
| Declares implementation functions and types for the domain decomposition module.
|
|
file | domdec_network.cpp |
| This file defines functions for (mostly) the domdec module to use MPI functionality.
|
|
file | domdec_network.h |
| This file declares functions for (mostly) the domdec module to use MPI functionality.
|
|
file | domdec_setup.cpp |
| This file defines functions used by the domdec module in its initial setup phase.
|
|
file | domdec_specatomcomm.cpp |
| This file implements functions for domdec to use while managing inter-atomic constraints.
|
|
file | domdec_specatomcomm.h |
| This file declares functions for domdec to use while managing communication of atoms required for special purposes.
|
|
file | domdec_topology.cpp |
| This file defines functions used by the domdec module while managing the construction, use and error checking for topologies local to a DD rank.
|
|
file | domdec_vsite.cpp |
| This file implements functions for domdec to use while managing inter-atomic constraints.
|
|
file | domdec_vsite.h |
| This file declares functions for domdec to use while managing virtual sites.
|
|