Gromacs
2020.1
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#include <gromacs/modularsimulator/topologyholder.h>
Object holding the topology.
Clients can register to get an updated local topology whenever there is a change (infrequent, only due to domdec currently).
Public Member Functions | |
TopologyHolder (const gmx_mtop_t &globalTopology, const t_commrec *cr, const t_inputrec *inputrec, t_forcerec *fr, MDAtoms *mdAtoms, Constraints *constr, gmx_vsite_t *vsite) | |
Constructor. | |
const gmx_mtop_t & | globalTopology () const |
Get global topology. | |
void | registerClient (ITopologyHolderClient *client) |
Register topology client. | |
Friends | |
class | DomDecHelper |
Allow domdec to update local topology. | |