GCMC Simulation
A C++ and Python-based Monte Carlo simulation framework for interacting particles.
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Simulation Member List

This is the complete list of members for Simulation, including all inherited members.

buildCellList()Simulation
calculatePressure() constSimulation
clearCellList()Simulation
computeEnergy()Simulation
computeLocalEnergy(int particleIndex) constSimulation
computeTotalForce() constSimulation
energySimulation
getEnergy() constSimulation
getNumParticles() constSimulation
getPressure() constSimulation
getTemperature() constSimulation
initializeParticles(bool randomPlacement)Simulation
monteCarloAddRemove()Simulation
monteCarloMove()Simulation
removeParticleFromCellList(int particleIndex, int cellIndex)Simulation
run(int numSteps, int equilibrationTime, int outputFrequency, Logging &logger)Simulation
setParticlePosition(size_t index, double x, double y)Simulation
Simulation(const SimulationBox &box, PotentialType potentialType, SimulationType simtype, double temperature, int numParticles, double maxDisplacement, double r2cut, float f_prime, double mu, unsigned int seed, bool useCellList, int cellListUpdateFrequency)Simulation
tail_correction_energy_2d() constSimulation
tail_correction_pressure_2d() constSimulation