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ParM
parm
A molecular dynamics library
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ParM
parm
A molecular dynamics library
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This is the complete list of members for CollectionGear4NPH, 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 |
| angular_momentum(const Vec &loc) | Collection | inline |
| angular_momentum() | Collection | inline |
| atoms | Collection | protected |
| box | Collection | protected |
| bs | CollectionGear4NPH | 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 | |
| CollectionGear4NPH(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P, const flt Q, uint ncorrectionsteps, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >()) | CollectionGear4NPH | inline |
| CollectionGear4NPH(sptr< OriginBox > box, sptr< AtomGroup > atoms, const flt dt, const flt P, const flt Q, vector< sptr< Interaction > > interactions=vector< sptr< Interaction > >(), vector< sptr< StateTracker > > trackers=vector< sptr< StateTracker > >(), vector< sptr< Constraint > > constraints=vector< sptr< Constraint > >()) | CollectionGear4NPH | inline |
| com() | Collection | inline |
| com_velocity() | Collection | inline |
| constraints | Collection | protected |
| dddV | CollectionGear4NPH | protected |
| ddV | CollectionGear4NPH | protected |
| degrees_of_freedom() | Collection | |
| dt | CollectionGear4NPH | protected |
| dV | CollectionGear4NPH | protected |
| energy() | Collection | |
| get_box() | Collection | inline |
| get_dV() | CollectionGear4NPH | inline |
| get_interactions() | Collection | inline |
| getddV() | CollectionGear4NPH | inline |
| gyradius() | Collection | |
| hamiltonian() | CollectionGear4NPH | inline |
| initialize() | Collection | virtual |
| interactions | Collection | protected |
| kinetic_energy() | CollectionGear4NPH | virtual |
| ncorrec | CollectionGear4NPH | protected |
| P | CollectionGear4NPH | protected |
| potential_energy() | Collection | |
| pressure() | Collection | virtual |
| Q | CollectionGear4NPH | protected |
| reset_com_velocity() | Collection | inline |
| reset_L() | Collection | inline |
| resetbs() | CollectionGear4NPH | inlineprotected |
| scale_velocities(flt scaleby) | Collection | |
| scale_velocities_to_energy(flt E) | Collection | |
| scale_velocities_to_temp(flt T, bool minuscomv=true) | Collection | |
| set_dt(flt newdt) | CollectionGear4NPH | inline |
| set_forces(bool constraints_and_a=true) | Collection | virtual |
| set_forces_get_pressure(bool constraints_and_a=true) | Collection | protectedvirtual |
| temp(bool minuscomv=true) | CollectionGear4NPH | virtual |
| timestep() | CollectionGear4NPH | virtual |
| trackers | Collection | protected |
| update_constraint_forces() | Collection | protected |
| update_constraint_positions() | Collection | protected |
| update_constraint_velocities() | Collection | protected |
| update_trackers() | Collection | protected |
| virial() | Collection | virtual |
| ~Collection() | Collection | inlinevirtual |
1.8.10
