Reading individual sites from moleculeProperties dictionary entries, finished.

This commit is contained in:
graham
2008-10-08 17:17:32 +01:00
parent 8a96347c9a
commit c8098a13d1
9 changed files with 83 additions and 44 deletions

View File

@ -43,6 +43,10 @@ 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;

View File

@ -85,6 +85,11 @@ int main(int argc, char *argv[])
+ 2.0 * mSites[0] * (pSites[0].y() * pSites[0].y() + pSites[0].x() * pSites[0].x())
);
Info<< m
<< nl << qSites
<< nl << pSites
<< nl << I << endl;
vector p1(0, 0, 0);
vector v1(100, 0, 0);