Emdee
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AndersenThermostat | Modifies the temperature of the system by use of a Andersen thermostat |
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 |
BenchmarkTest | |
BerendsenThermostat | Modifies the temperature of the system by use of a Berendsen thermostat |
ConfigurationParser | |
ConstantForce | Defines a simple constant force that is applied to all particles |
EulerCromerIntegrator | Integrates the position and velocity of all particles based on the Euler-Cromer scheme |
FallbackLogger | |
FannDerivative | Helper class that is used to calculate the gradient of the FANN network output with respect to its input |
FannThreeParticleForce | Loads a pre-trained FANN network and uses this to calculate three-particle forces between a given set of atoms |
FannThreeParticleNetwork | |
FannTwoParticleForce | Loads a pre-trained FANN network and uses this to calculate two-particle forces between a given set of atoms |
FannTwoParticleNetwork | |
FileIO | |
FileManager | Functionality to save the current state of a MoleculeSystem with proper unit conversions |
ForcesTest | |
Friction | Applies a friction force to all particles of the system |
Generator | Functions to generate crystal structures, initial velocities, etc. for a MoleculeSystem |
GeneratorTest | |
Integrator | Base class for all time integrator classes |
KohenThreeParticleForce | Not yet implemented and serves only as a benchmark test case |
LennardJonesForce | Calculates the force and potential based on the Lennard-Jones potential |
Modifier | Base class for all MoleculeSystem modifiers |
MolecularDynamics | |
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 |
OculusReader | |
PickEvent | |
PlaygroundTest | |
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 | |
QGLDrawBufferSurface | |
QGLMaskedSurface | Masked copy of another OpenGL drawing surface |
QGLMaskedSurfacePrivate | |
QMutexMaybeLocker | |
QtQuick2ApplicationViewer | |
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 |
StereoViewport | |
StereoViewportPrivate | |
StereoViewportSubsurface | |
SuperCamera | |
SystemTest | |
ThreeParticleForce | The InteratomicForce class calculates forces between atoms |
TwoParticleForce | The InteratomicForce class calculates forces between atoms |
VashishtaThreeParticleForce | Defines the interaction between three particles in the Vashishta-Kalia-Rino-Ebbsjø potential |
VashishtaTwoParticleForce | Defines the interaction between two particles in the Vashishta-Kalia-Rino-Ebbsjø potential |
Vector3 | Simple and performance-centric 3D vector class |
Vector3Test | |
VelocityVerletIntegrator | Integrates the position and velocity of all particles based on the velocity-Verlet scheme |
ViewportSubsurface |