ls1-MarDyn
ls1-MarDyn molecular dynamics code
TODOs and Open Issues

This page collects some todos which are not related to a specific point in the ls1 source code. Beside all the doxygen todos there are plenty of TODO and FIXME markers in the code, which are worth looking at, too.

Todo:
we may want a ms2-pm file to xml converter
Todo:
we may want a faster, less memory consuming implemenation of DomainDecomposition->assertDisjunctivity; Also it may be moved into the abstract super class.
Todo:
have a look at tickRDF() usage, possibly move tickRDF() calls into handler->initialize()?
Todo:
Make molecule id an "unsigned long long int", only this is guaranteed to be 64 byte (e.g. on BlueGene, it is not)
Todo:
have a look at calcFM from Molecule::upd_postF() into ParticleContainer::traversePairs(). Then it corresponds to clearFM(), and the initializing call in Simulation.cpp as well in the ForceCalculationTest is not neccessary.
Todo:
At the moment, particles are converted to ParticleData Objects, then send as user defined mpi-datatype, which may introduce some overhead due to another conversion