Gromacs
2024.4
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#include <gromacs/mdtypes/group.h>
System momenta used with with the box deform option.
Public Attributes | |
SystemMomentum | momentumHalfStep |
Momentum to be used with ekinh in t_grp_tcstat. | |
SystemMomentum | momentumOldHalfStep |
Momentum to be used with ekinh_old in t_grp_tcstat. | |
SystemMomentum | momentumFullStep |
Momentum to be used with ekinf in t_grp_tcstat. | |