Gromacs
2020
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Struct for thread local work data for local topology generation.
Public Attributes | |
t_idef | idef |
Partial local topology. | |
std::unique_ptr< VsitePbc > | vsitePbc |
vsite PBC structure | |
int | nbonded |
The number of bondeds in this struct. | |
t_blocka | excl |
List of exclusions. | |
int | excl_count |
The total exclusion count for excl . | |