Gromacs
2022.2
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#include <gromacs/topology/topology.h>
The fully written out topology for a domain over its lifetime.
Also used in some analysis code.
Public Member Functions | |
gmx_localtop_t (const gmx_ffparams_t &ffparams) | |
Constructor used for normal operation, manages own resources. | |
Public Attributes | |
InteractionDefinitions | idef |
The interaction function definition. | |
gmx::ListOfLists< int > | excls |
The exclusions. | |