ParM  parm
A molecular dynamics library
CollectionNLCG Member List

This is the complete list of members for CollectionNLCG, 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
afracCollectionNLCG
alCollectionNLCG
alphaCollectionNLCG
alphamaxCollectionNLCG
alphavmaxCollectionNLCG
angular_momentum(const Vec &loc)Collectioninline
angular_momentum()Collectioninline
atomsCollectionprotected
betaCollectionNLCG
betausedCollectionNLCG
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
CollectionNLCG(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P0, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >(), const flt kappa=10.0, const flt kmax=1000, const uint secmax=40, const flt seceps=1e-20)CollectionNLCG
com()Collectioninline
com_velocity()Collectioninline
constraintsCollectionprotected
degrees_of_freedom()Collection
descend()CollectionNLCG
dtCollectionNLCG
dxmaxCollectionNLCG
dxsumCollectionNLCG
energy()Collection
fdota()CollectionNLCG
fdotf()CollectionNLCG
fdotv()CollectionNLCG
flCollectionNLCG
get_box()Collectioninline
get_interactions()Collectioninline
get_length_squared()CollectionNLCG
get_pressure_goal()CollectionNLCGinline
gyradius()Collection
hamiltonian()CollectionNLCG
initialize()Collectionvirtual
interactionsCollectionprotected
kCollectionNLCG
kappaCollectionNLCG
kinetic_energy()CollectionNLCGvirtual
kmaxCollectionNLCG
KnewCollectionNLCG
maxdVCollectionNLCG
P0CollectionNLCG
potential_energy()Collection
pressure()CollectionNLCGvirtual
reset()CollectionNLCG
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
secCollectionNLCG
secepsCollectionNLCG
secmaxCollectionNLCG
set_dt(flt newdt)CollectionNLCGinline
set_forces(bool constraints_and_a=true)CollectionNLCGinlinevirtual
set_forces(bool constraints_and_a, bool setV)CollectionNLCG
set_forces_get_pressure(bool constraints_and_a=true)Collectionprotectedvirtual
set_kappa(flt k)CollectionNLCGinline
set_max_alpha(flt a)CollectionNLCGinline
set_max_alpha_fraction(flt a)CollectionNLCGinline
set_max_dx(flt d)CollectionNLCGinline
set_max_step(flt m)CollectionNLCGinline
set_pressure_goal(flt P)CollectionNLCGinline
stepmaxCollectionNLCG
stepx(flt dx)CollectionNLCGvirtual
temp(bool minuscomv=true)Collectionvirtual
timestep()CollectionNLCGvirtual
trackersCollectionprotected
update_constraint_forces()Collectionprotected
update_constraint_positions()Collectionprotected
update_constraint_velocities()Collectionprotected
update_trackers()Collectionprotected
vdotv()CollectionNLCG
virial()Collectionvirtual
vlCollectionNLCG
~Collection()Collectioninlinevirtual