Gromacs  2023.2
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gmx::VirtualSitesHandler Member List

This is the complete list of members for gmx::VirtualSitesHandler, including all inherited members.

construct(ArrayRef< RVec > x, ArrayRef< RVec > v, const matrix box, VSiteOperation operation) const gmx::VirtualSitesHandler
numInterUpdategroupVirtualSites() const gmx::VirtualSitesHandler
setVirtualSites(ArrayRef< const InteractionList > ilist, int numAtoms, int homenr, ArrayRef< const ParticleType > ptype)gmx::VirtualSitesHandler
spreadForces(ArrayRef< const RVec > x, ArrayRef< RVec > f, VirialHandling virialHandling, ArrayRef< RVec > fshift, matrix virial, t_nrnb *nrnb, const matrix box, gmx_wallcycle *wcycle)gmx::VirtualSitesHandler
VirialHandling enum namegmx::VirtualSitesHandler
VirtualSitesHandler(const gmx_mtop_t &mtop, gmx_domdec_t *domdec, PbcType pbcType, ArrayRef< const RangePartitioning > updateGroupingPerMoleculeType)gmx::VirtualSitesHandler
~VirtualSitesHandler() (defined in gmx::VirtualSitesHandler)gmx::VirtualSitesHandler