The Molecular Dynamics teaching code.
##Build Instructions
- Make sure to have installed the libraries libxerces-c, libcppunit, liblog4cxx on your system.
- Use the provided makefile.
##Run Instructions
The following parameter configurations are possible:
- MolSim -test testcase This runs a test suite from /src/test/. The parameter should be the name of one of the test cases without the "Test", eg.: "XMLInputTest" --> ./MolSim -test XMLInput
- MolSim -xml filename This runs the simulation based on data stored in the specified XML file (e.g. eingabe-two_bodies.xml). See molsim-input.xsd for valid XML definitions. The XML file must include a correct reference path to the XSD file!
- MolSim -m filename Like -xml, but uses the special calculation method from the task "Simulation of a membrane". It is assumed that only cuboids are to be created, and that they only extend in the XY-plane, with only one particle in the Z axis; just as described in the task.
- MolSim -c filename [delta_t end_time] This runs the simulation based on cuboids generated from data in the specified file (e.g. eingabe-cuboid.txt).
- MolSim -p filename [delta_t end_time] This runs the simulation based on particles stored in the specified file (e.g. eingabe-sonne.txt).
[delta_t end_time] is optional to define values for time step and end time of simulation (default values: 0.014 and 1000)
A Doxygen documentation of the code can be found in directory html.