ParM  parm
A molecular dynamics library
CollectionNLCGV Member List

This is the complete list of members for CollectionNLCGV, 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
afracCollectionNLCGV
alCollectionNLCGV
alphaCollectionNLCGV
alphamaxCollectionNLCGV
alphavmaxCollectionNLCGV
angular_momentum(const Vec &loc)Collectioninline
angular_momentum()Collectioninline
atomsCollectionprotected
betaCollectionNLCGV
betausedCollectionNLCGV
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
CollectionNLCGV(sptr< Box > box, sptr< AtomGroup > atoms, const flt dt, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >(), const flt kmax=1000, const uint secmax=10, const flt seceps=1e-4)CollectionNLCGV
com()Collectioninline
com_velocity()Collectioninline
constraintsCollectionprotected
degrees_of_freedom()Collection
descend()CollectionNLCGV
dtCollectionNLCGV
dxmaxCollectionNLCGV
dxsumCollectionNLCGV
energy()Collection
fdota()CollectionNLCGV
fdotf()CollectionNLCGV
fdotv()CollectionNLCGV
flCollectionNLCGV
get_box()Collectioninline
get_interactions()Collectioninline
gyradius()Collection
initialize()Collectionvirtual
interactionsCollectionprotected
kCollectionNLCGV
kinetic_energy()Collectioninlinevirtual
kmaxCollectionNLCGV
KnewCollectionNLCGV
potential_energy()Collection
pressure()CollectionNLCGVvirtual
reset()CollectionNLCGV
reset_com_velocity()Collectioninline
reset_L()Collectioninline
scale_velocities(flt scaleby)Collection
scale_velocities_to_energy(flt E)Collection
scale_velocities_to_temp(flt T, bool minuscomv=true)Collection
secCollectionNLCGV
secepsCollectionNLCGV
secmaxCollectionNLCGV
set_dt(flt newdt)CollectionNLCGVinline
set_forces(bool constraints_and_a=true)Collectionvirtual
set_forces_get_pressure(bool constraints_and_a=true)Collectionprotectedvirtual
set_max_alpha(flt a)CollectionNLCGVinline
set_max_alpha_fraction(flt a)CollectionNLCGVinline
set_max_dx(flt d)CollectionNLCGVinline
set_max_step(flt m)CollectionNLCGVinline
stepmaxCollectionNLCGV
stepx(flt dx)CollectionNLCGV
temp(bool minuscomv=true)Collectionvirtual
timestep()CollectionNLCGVvirtual
trackersCollectionprotected
update_constraint_forces()Collectionprotected
update_constraint_positions()Collectionprotected
update_constraint_velocities()Collectionprotected
update_trackers()Collectionprotected
vdotv()CollectionNLCGV
virial()Collectionvirtual
vlCollectionNLCGV
~Collection()Collectioninlinevirtual