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Emdee
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Emdee
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  Atom | Defines the type, position and other properties of an atom |
| AtomType | Defines the name, abbreviation, number, mass and other properties of an atom type |
| ConfigurationParser | |
| FallbackLogger | |
| FannDerivative | Helper class that is used to calculate the gradient of the FANN network output with respect to its input |
| FannThreeParticleNetwork | |
| FannTwoParticleNetwork | |
| FileManager | Functionality to save the current state of a MoleculeSystem with proper unit conversions |
| Generator | Functions to generate crystal structures, initial velocities, etc. for a MoleculeSystem |
 Integrator | Base class for all time integrator classes |
 EulerCromerIntegrator | Integrates the position and velocity of all particles based on the Euler-Cromer scheme |
 VelocityVerletIntegrator | Integrates the position and velocity of all particles based on the velocity-Verlet scheme |
| Modifier | Base class for all MoleculeSystem modifiers |
| AndersenThermostat | Modifies the temperature of the system by use of a Andersen thermostat |
| BerendsenThermostat | Modifies the temperature of the system by use of a Berendsen thermostat |
| Friction | Applies a friction force to all particles of the system |
| MoleculeSystem | Core of the molecular dynamics simulation. It provides functions to add and remove atoms, start simulations, and sampling of statistical properties |
| MoleculeSystemCell | Defines a region of a MoleculeSystem and holds information about neighboring MoleculeSystemCell objects |
| PickEvent | |
| Processor | Holds information about the current processor and neighboring processors. Its implementation depends on whether the program is compiled with MPI or not |
| ProcessorNeighbor | |
| ProgressReporter | |
| QGLAbstractSurface | |
| QGLDrawBufferSurface | |
| QGLMaskedSurface | Masked copy of another OpenGL drawing surface |
| QGLCamera | |
| SuperCamera | |
| QGLMaskedSurfacePrivate | |
| QGLSubsurface | |
| StereoViewportSubsurface | |
| ViewportSubsurface | |
| QMutexMaybeLocker | |
| QObject | |
| BenchmarkTest | |
| FileIO | |
| ForcesTest | |
| GeneratorTest | |
| OculusReader | |
| PlaygroundTest | |
| SystemTest | |
| Vector3Test | |
| QQuickItem3D | |
| MolecularDynamics | |
| QQuickPaintedItem | |
| StereoViewport | |
| QQuickView | |
| QtQuick2ApplicationViewer | |
| QQuickViewport | |
| StereoViewport | |
| QtQuick2ApplicationViewerPrivate | |
| Random | Standard functions for generation of random numbers |
| Range | Defines a simple mathematical range used by the Processor class |
| s1_t | |
| Setup | Helper class to load MPI and the glog library upon starting an application |
| SingleParticleForce | Base class for single-particle forces and potentials that act on all particles. For instance external forces such as gravity |
| ConstantForce | Defines a simple constant force that is applied to all particles |
| StereoViewportPrivate | |
| ThreeParticleForce | The InteratomicForce class calculates forces between atoms |
| FannThreeParticleForce | Loads a pre-trained FANN network and uses this to calculate three-particle forces between a given set of atoms |
| KohenThreeParticleForce | Not yet implemented and serves only as a benchmark test case |
| VashishtaThreeParticleForce | Defines the interaction between three particles in the Vashishta-Kalia-Rino-Ebbsjø potential |
| TwoParticleForce | The InteratomicForce class calculates forces between atoms |
| FannTwoParticleForce | Loads a pre-trained FANN network and uses this to calculate two-particle forces between a given set of atoms |
| LennardJonesForce | Calculates the force and potential based on the Lennard-Jones potential |
| VashishtaTwoParticleForce | Defines the interaction between two particles in the Vashishta-Kalia-Rino-Ebbsjø potential |
| Vector3 | Simple and performance-centric 3D vector class |
1.8.4
