Simulated annealing. More...
#include <SimAnnealRun.hh>
Inheritance diagram for SimAnnealRun:
Public Member Functions | |
| int | parseCommand (InstructionString s) |
| Parse commands specific to simulated annealing. | |
 Public Member Functions inherited from BasicMCRun | |
| int | parseCommands (std::list< InstructionString > &cmds) |
| Execute commands collected with getCommands. | |
Additional Inherited Members | |
| Protected Member Functions inherited from BasicMCRun | |
| virtual void | writeConf () |
| Write program state to PROFASI binary configuration file. | |
| int | recover (unsigned rcyc=(unsigned)-1) |
| Restore the state of the run to a given point of a previous run. | |
| FILE * | open_segment (std::string prfx) |
| Open a new conf.data___ file for a new simulation segment. | |
| Protected Attributes inherited from BasicMCRun | |
| PopulationHandler | PH |
| A population handler. | |
| ObsHandler | H |
| An observable handler. | |
| RandomNumberHandler | ranh |
| A handler object for random numbers. | |
| FFHandler | ffh |
| A force field handler. | |
Detailed Description
This class implements simulated annealing using ProFASi libraries. It is based on the class BasicMCRun. Most properties are directly inheritted. Only the temperature update method is implemented here as a cooling step. There is also a function to reset the system to the initial state at the start of each simulated annealing cycle. To see how to use the program, see SimAnnealRun program reference
- See Also
- SimAnnealRun program reference
The documentation for this class was generated from the following files:
- app/SimAnnealRun.hh
- app/SimAnnealRun.cc