Modified id reading and mapping to make mols specify which sites they need pair potentials for and only look for them in the potentialDict. Ids requiring pair potentials are stored first in the siteIdList to make the look-up of them in pairPotential work as before.

This commit is contained in:
graham
2008-11-18 17:51:53 +00:00
parent d833730eaa
commit c85269854f
10 changed files with 167 additions and 86 deletions

View File

@ -43,10 +43,6 @@ int main(int argc, char *argv[])
potential pot(mesh);
const pairPotentialList& pairPot(pot.pairPotentials());
Info<< pairPot.energy(0, 0, 0.45e-9) << endl;
moleculeCloud molecules(mesh, pot);
Info << "\nStarting time loop\n" << endl;