Gromacs  2024.1
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gmx::Update Member List

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

deform() const gmx::Update
finish_update(const t_inputrec &inputRecord, bool havePartiallyFrozenAtoms, int homenr, t_state *state, gmx_wallcycle *wcycle, bool haveConstraints)gmx::Update
getAndersenRandomizeGroup() const gmx::Update
getBoltzmanFactor() const gmx::Update
Update(const t_inputrec &inputRecord, const gmx_ekindata_t &ekind, BoxDeformation *boxDeformation)gmx::Update
update_coords(const t_inputrec &inputRecord, int64_t step, int homenr, bool havePartiallyFrozenAtoms, gmx::ArrayRef< const ParticleType > ptype, gmx::ArrayRef< const real > invMass, gmx::ArrayRef< const gmx::RVec > invMassPerDim, t_state *state, const gmx::ArrayRefWithPadding< const gmx::RVec > &f, t_fcdata *fcdata, const gmx_ekindata_t *ekind, const Matrix3x3 &parrinelloRahmanM, int updatePart, const t_commrec *cr, bool haveConstraints)gmx::Update
update_for_constraint_virial(const t_inputrec &inputRecord, int homenr, bool havePartiallyFrozenAtoms, gmx::ArrayRef< const real > invmass, gmx::ArrayRef< const gmx::RVec > invMassPerDim, const t_state &state, const gmx::ArrayRefWithPadding< const gmx::RVec > &f, const gmx_ekindata_t &ekind)gmx::Update
update_sd_second_half(const t_inputrec &inputRecord, int64_t step, real *dvdlambda, int homenr, gmx::ArrayRef< const ParticleType > ptype, gmx::ArrayRef< const real > invMass, t_state *state, const t_commrec *cr, t_nrnb *nrnb, gmx_wallcycle *wcycle, gmx::Constraints *constr, bool do_log, bool do_ene)gmx::Update
update_temperature_constants(const t_inputrec &inputRecord, const gmx_ekindata_t &ekind)gmx::Update
updateAfterPartition(int numAtoms, gmx::ArrayRef< const unsigned short > cFREEZE, gmx::ArrayRef< const unsigned short > cTC, gmx::ArrayRef< const unsigned short > cAcceleration)gmx::Update
xp()gmx::Update
~Update()gmx::Update