fixed some names and added ccache
added flags to OMP parallelization
expanded potentials to fields with values for each combination of species. added species parameter to soluparticle.
added temporary concwall boundary parameter cooldown as config parameter
Merge branch 'mixedSpecies' of github.com:jorgehog/kMC into mixedSpecies
implemented mixing of interaction strenghts.
solver forceSpawnParticle now accepts a species identifyer
testBed spawnCenter now accepts a particle species identifyer
Forcespawn particle now returns the particle if successfull and NULL
else. Started writing particle mixing unit test.
added function to retrieve type from boundary. Fixed boxsize and
interaction length test such that it properly triggers only for periodic
boundaries. Continued writing particle mixing test.
added previous safeguard in the site nnNeibors set function as well.
Whether or not the potential is set up after changing nSpecies is
decided by a boolean parameter. Instead of crashing, nSpecies is given
the correct value upon changing parameters. Lammpsfiles can be written
without specifying the flag before construction of KMCSolver if
explicitly stated.
updated kmcsolver destructor to allways destroy lammswriter object
neighbors energy are now updated properly by taking species into
account. Added conveinience function for extracting potential between
two particles. No longer calculate path beween two neighboring particles
when updating energies, path is now given implicitly by sent indices.
mixed particle test implemented and passed.
if no path is supplied in config, it is set to the outfiles folder.
all tests pass. Ready for merge with master.