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ParM
parm
A molecular dynamics library
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This is the complete list of members for CollectionNLCGFixedL, 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 | |
| CollectionNLCGFixedL(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) | CollectionNLCGFixedL | inline |
| 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) | CollectionNLCGFixedL | 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 |
1.8.10