8 #include "AnalyzerFactory.h" 13 #include "trajectory/ConfigWriter.h" 14 #include "trajectory/DdMdTrajectoryWriter.h" 15 #include "trajectory/DdMdGroupTrajectoryWriter.h" 16 #include "trajectory/LammpsDumpWriter.h" 19 #include "energy/LogEnergy.h" 20 #include "energy/EnergyAnalyzer.h" 21 #include "energy/OutputEnergy.h" 22 #include "energy/KineticEnergyAnalyzer.h" 23 #include "energy/OutputTemperature.h" 24 #include "energy/PairEnergyAnalyzer.h" 25 #include "energy/OutputPairEnergies.h" 26 #include "energy/PairEnergyAverage.h" 28 #include "energy/ExternalEnergyAnalyzer.h" 29 #include "energy/ExternalEnergyAverage.h" 33 #include "stress/PressureAnalyzer.h" 34 #include "stress/OutputPressure.h" 35 #include "stress/OutputBoxdim.h" 36 #include "stress/StressAnalyzer.h" 37 #include "stress/VirialStressAnalyzer.h" 38 #include "stress/OutputStressTensor.h" 39 #include "stress/VirialStressTensorAverage.h" 40 #include "stress/StressAutoCorr.h" 41 #include "stress/StressAutoCorrelation.h" 44 #include "scattering/StructureFactor.h" 45 #include "scattering/StructureFactorGrid.h" 46 #include "scattering/VanHove.h" 49 #include "misc/OrderParamNucleation.h" 51 #include "misc/BondTensorAutoCorr.h" 63 : simulationPtr_(&simulation)
78 if (className ==
"LogEnergy") {
81 if (className ==
"EnergyAnalyzer") {
84 if (className ==
"OutputEnergy") {
87 if (className ==
"KineticEnergyAnalyzer") {
90 if (className ==
"OutputTemperature") {
93 if (className ==
"PairEnergyAnalyzer") {
96 if (className ==
"PairEnergyAverage") {
99 if (className ==
"OutputPairEnergies") {
103 if (className ==
"ExternalEnergyAnalyzer") {
106 if (className ==
"ExternalEnergyAverage") {
111 if (className ==
"OutputBoxdim") {
114 if (className ==
"PressureAnalyzer") {
117 if (className ==
"OutputPressure") {
120 if (className ==
"StressAnalyzer") {
123 if (className ==
"VirialStressAnalyzer") {
126 if (className ==
"OutputStressTensor") {
129 if (className ==
"VirialStressTensorAverage") {
132 if (className ==
"StressAutoCorr") {
135 if (className ==
"StressAutoCorrelation") {
139 if (className ==
"StructureFactor") {
142 if (className ==
"StructureFactorGrid") {
145 if (className ==
"VanHove") {
149 if (className ==
"ConfigWriter") {
152 if (className ==
"DdMdTrajectoryWriter") {
155 if (className ==
"DdMdGroupTrajectoryWriter") {
158 if (className ==
"LammpsDumpWriter") {
163 if (className ==
"BondTensorAutoCorr") {
167 if (className ==
"OrderParamNucleation") {
Abstract base for periodic output and/or analysis actions.
Compute average of pair energy.
Evaluates the van Hove function S(k,t) for one or more wavevector k.
Periodically write simulation configuration to a new file.
Output and evaluate average of stress tensor.
Sample and evaluate average of total pressure.
Periodically write (scalar) pressure to file.
Compute averages and output block averages of energy components.
Output and evaluate average of virial stress tensor.
Compute and analyze pair energies.
Calculate stress autocorrelation function.
Periodically write simulation energies to Log output.
Parallel domain decomposition (DD) MD simulation.
Periodically write Boundary dimensions to file.
Main object for a domain-decomposition MD simulation.
Periodically write simulation energies to Log output.
Native binary trajectory format for ddSim, for one group.
Periodically write (tensor) StressTensor to file.
Compute stress autocorrelation function for a liquid.
Analyzer * trySubfactories(const std::string &className) const
Search through subfactories for match.
Periodically write pair energies to file.
Utility classes for scientific computation.
Compute average and output block averages of virial stress tensor.
Compute the shear stress autocorrelation function.
virtual Analyzer * factory(const std::string &className) const
Return pointer to a new Analyzer object.
Output and evaluate average of kinetic energy.
Native binary trajectory format for ddSim.
StructureFactor evaluates structure factors in Fourier space.
Output and evaluate average of external energy.
Write a trajectory in the Lammps dump format.
Periodically write simulation energies to file.
StructureFactorGrid evaluates structure factors in Fourier space.
Simulation & simulation() const
Return reference to parent Simulation.
Periodically output kinetic temperature to file.
OrderParamNucleation is designed to evaluate a sort of composition profile in the specific case of nu...
AnalyzerFactory(Simulation &simulation)
Constructor.