ParM  parm
A molecular dynamics library
CollectionGear4NPH Member List

This is the complete list of members for CollectionGear4NPH, including all inherited members.

add(sptr< Interaction > a)Collectioninline
add(sptr< StateTracker > a)Collectioninline
add(sptr< Constraint > a)Collectioninline
add_constraint(sptr< Constraint > c)Collectioninline
add_interaction(sptr< Interaction > inter)Collectioninline
add_tracker(sptr< StateTracker > track)Collectioninline
angular_momentum(const Vec &loc)Collectioninline
angular_momentum()Collectioninline
atomsCollectionprotected
boxCollectionprotected
bsCollectionGear4NPHprotected
Collection(sptr< Box > box, sptr< AtomGroup > atoms, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >(), bool should_initialize=true)Collection
CollectionGear4NPH(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P, const flt Q, uint ncorrectionsteps, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >())CollectionGear4NPHinline
CollectionGear4NPH(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P, const flt Q, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >())CollectionGear4NPHinline
com()Collectioninline
com_velocity()Collectioninline
constraintsCollectionprotected
dddVCollectionGear4NPHprotected
ddVCollectionGear4NPHprotected
degrees_of_freedom()Collection
dtCollectionGear4NPHprotected
dVCollectionGear4NPHprotected
energy()Collection
get_box()Collectioninline
get_dV()CollectionGear4NPHinline
get_interactions()Collectioninline
getddV()CollectionGear4NPHinline
gyradius()Collection
hamiltonian()CollectionGear4NPHinline
initialize()Collectionvirtual
interactionsCollectionprotected
kinetic_energy()CollectionGear4NPHvirtual
ncorrecCollectionGear4NPHprotected
PCollectionGear4NPHprotected
potential_energy()Collection
pressure()Collectionvirtual
QCollectionGear4NPHprotected
reset_com_velocity()Collectioninline
reset_L()Collectioninline
resetbs()CollectionGear4NPHinlineprotected
scale_velocities(flt scaleby)Collection
scale_velocities_to_energy(flt E)Collection
scale_velocities_to_temp(flt T, bool minuscomv=true)Collection
set_dt(flt newdt)CollectionGear4NPHinline
set_forces(bool constraints_and_a=true)Collectionvirtual
set_forces_get_pressure(bool constraints_and_a=true)Collectionprotectedvirtual
temp(bool minuscomv=true)CollectionGear4NPHvirtual
timestep()CollectionGear4NPHvirtual
trackersCollectionprotected
update_constraint_forces()Collectionprotected
update_constraint_positions()Collectionprotected
update_constraint_velocities()Collectionprotected
update_trackers()Collectionprotected
virial()Collectionvirtual
~Collection()Collectioninlinevirtual