/usr/include/freefoam/molecule/calculateMDFields.H is in libfreefoam-dev 0.1.0+dfsg-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | const List<DynamicList<molecule*> >& cellOccupancy = molecules.cellOccupancy();
forAll(cellOccupancy, cell)
{
const List<molecule*>& molsInCell = cellOccupancy[cell];
forAll(molsInCell, mIC)
{
molecule* mol = molsInCell[mIC];
const label molId = mol->id();
const vector& molU = mol->U();
allSpeciesN_RU[molId][cell]++;
allSpeciesM_RU[molId][cell] += mol->mass();
allSpeciesVelocitySum_RU[molId][cell] += molU;
allSpeciesVelocityMagSquaredSum_RU[molId][cell] += molU & molU;
}
}
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