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testing with 10x10x10 grid
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wbailey committed Aug 10, 2014
1 parent 0541a6b commit 6f0f7ab
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2 changes: 1 addition & 1 deletion C/molecular_dynamics/runner.c
Original file line number Diff line number Diff line change
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int main(void) {
LennardJonesPotential *ljp = new_LennardJonesPotential(3.40, 0.997);
MD_BoxParameters *mdb = new_MD_BoxParameters(10, 10, 10, 2.0 * ljp->sigma, 2.0);
MD_RunParameters *mdp = new_MD_RunParameters(0.0, 0.01, 6000, 1000, 1000);
MD_RunParameters *mdp = new_MD_RunParameters(0.0, 0.01, 2000, 500, 500);
int collection_size = mdb->Nx * mdb->Ny * mdb->Nz;
ParticleCollection *particle = new_ParticleCollection(collection_size);
MD_Report *report = new_Report();
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