ParM  parm
A molecular dynamics library
CollectionVerletNPT Member List

This is the complete list of members for CollectionVerletNPT, 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
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
CollectionVerletNPT(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P, const flt QP, const flt T, const flt QT, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >())CollectionVerletNPTinline
com()Collectioninline
com_velocity()Collectioninline
constraintsCollectionprotected
curPCollectionVerletNPT
degrees_of_freedom()Collection
det_xi_dot()CollectionVerletNPTinline
dtCollectionVerletNPT
energy()Collection
etaCollectionVerletNPT
etasumCollectionVerletNPT
get_box()Collectioninline
get_eta()CollectionVerletNPTinline
get_interactions()Collectioninline
get_pressure()CollectionVerletNPTinline
get_vhalf(uint n)CollectionVerletNPTinline
gyradius()Collection
hamiltonian()CollectionVerletNPTinline
initialize()Collectionvirtual
interactionsCollectionprotected
kinetic_energy()Collectioninlinevirtual
lastVCollectionVerletNPT
lastxidotCollectionVerletNPT
PCollectionVerletNPT
potential_energy()Collection
pressure()Collectionvirtual
QPCollectionVerletNPT
QTCollectionVerletNPT
reset_com_velocity()CollectionVerletNPTinline
reset_L()CollectionVerletNPTinline
resetvhalf()CollectionVerletNPT
scale_velocities(flt scaleby)CollectionVerletNPTinline
scale_velocities_to_energy(flt E)CollectionVerletNPTinline
scale_velocities_to_temp(flt T)CollectionVerletNPTinline
Collection::scale_velocities_to_temp(flt T, bool minuscomv=true)Collection
set_dt(flt newdt)CollectionVerletNPTinline
set_forces(bool constraints_and_a=true)Collectionvirtual
set_forces_get_pressure(bool constraints_and_a=true)Collectionprotectedvirtual
TCollectionVerletNPT
temp(bool minuscomv=true)Collectionvirtual
timestep()CollectionVerletNPTvirtual
trackersCollectionprotected
update_constraint_forces()Collectionprotected
update_constraint_positions()Collectionprotected
update_constraint_velocities()Collectionprotected
update_trackers()Collectionprotected
vhalfCollectionVerletNPT
virial()Collectionvirtual
xidotCollectionVerletNPT
~Collection()Collectioninlinevirtual