This is the complete list of members for CollectionNLCG, including all inherited members.
add(sptr< Interaction > a) | Collection | inline |
add(sptr< StateTracker > a) | Collection | inline |
add(sptr< Constraint > a) | Collection | inline |
add_constraint(sptr< Constraint > c) | Collection | inline |
add_interaction(sptr< Interaction > inter) | Collection | inline |
add_tracker(sptr< StateTracker > track) | Collection | inline |
afrac | CollectionNLCG | |
al | CollectionNLCG | |
alpha | CollectionNLCG | |
alphamax | CollectionNLCG | |
alphavmax | CollectionNLCG | |
angular_momentum(const Vec &loc) | Collection | inline |
angular_momentum() | Collection | inline |
atoms | Collection | protected |
beta | CollectionNLCG | |
betaused | CollectionNLCG | |
box | Collection | protected |
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() | Collection | inline |
com_velocity() | Collection | inline |
constraints | Collection | protected |
degrees_of_freedom() | Collection | |
descend() | CollectionNLCG | |
dt | CollectionNLCG | |
dxmax | CollectionNLCG | |
dxsum | CollectionNLCG | |
energy() | Collection | |
fdota() | CollectionNLCG | |
fdotf() | CollectionNLCG | |
fdotv() | CollectionNLCG | |
fl | CollectionNLCG | |
get_box() | Collection | inline |
get_interactions() | Collection | inline |
get_length_squared() | CollectionNLCG | |
get_pressure_goal() | CollectionNLCG | inline |
gyradius() | Collection | |
hamiltonian() | CollectionNLCG | |
initialize() | Collection | virtual |
interactions | Collection | protected |
k | CollectionNLCG | |
kappa | CollectionNLCG | |
kinetic_energy() | CollectionNLCG | virtual |
kmax | CollectionNLCG | |
Knew | CollectionNLCG | |
maxdV | CollectionNLCG | |
P0 | CollectionNLCG | |
potential_energy() | Collection | |
pressure() | CollectionNLCG | virtual |
reset() | CollectionNLCG | |
reset_com_velocity() | Collection | inline |
reset_L() | Collection | inline |
scale_velocities(flt scaleby) | Collection | |
scale_velocities_to_energy(flt E) | Collection | |
scale_velocities_to_temp(flt T, bool minuscomv=true) | Collection | |
sec | CollectionNLCG | |
seceps | CollectionNLCG | |
secmax | CollectionNLCG | |
set_dt(flt newdt) | CollectionNLCG | inline |
set_forces(bool constraints_and_a=true) | CollectionNLCG | inlinevirtual |
set_forces(bool constraints_and_a, bool setV) | CollectionNLCG | |
set_forces_get_pressure(bool constraints_and_a=true) | Collection | protectedvirtual |
set_kappa(flt k) | CollectionNLCG | inline |
set_max_alpha(flt a) | CollectionNLCG | inline |
set_max_alpha_fraction(flt a) | CollectionNLCG | inline |
set_max_dx(flt d) | CollectionNLCG | inline |
set_max_step(flt m) | CollectionNLCG | inline |
set_pressure_goal(flt P) | CollectionNLCG | inline |
stepmax | CollectionNLCG | |
stepx(flt dx) | CollectionNLCG | virtual |
temp(bool minuscomv=true) | Collection | virtual |
timestep() | CollectionNLCG | virtual |
trackers | Collection | protected |
update_constraint_forces() | Collection | protected |
update_constraint_positions() | Collection | protected |
update_constraint_velocities() | Collection | protected |
update_trackers() | Collection | protected |
vdotv() | CollectionNLCG | |
virial() | Collection | virtual |
vl | CollectionNLCG | |
~Collection() | Collection | inlinevirtual |