Avec->copy()

Mahdi_Tavakol1 · December 13, 2024, 5:46pm

Dear LAMMPS community

I hope this email finds you well.

Does the avec->copy() function update the atom->bond_atom and atom->angle_atom1?

Best regards
Mahdi

stamoor · December 13, 2024, 6:43pm

Why not look in the code and see for yourself?

github.com

lammps/lammps/blob/a78aee573115032a3d7a716d5b5caefa1bb81aac/src/MOLECULE/atom_vec_full.cpp#L39-L42


      
          fields_copy = {"q", "molecule", "num_bond", "bond_type", "bond_atom", "num_angle", "angle_type",
            "angle_atom1", "angle_atom2", "angle_atom3", "num_dihedral", "dihedral_type", "dihedral_atom1",
            "dihedral_atom2", "dihedral_atom3", "dihedral_atom4", "num_improper", "improper_type",
            "improper_atom1", "improper_atom2", "improper_atom3", "improper_atom4", "nspecial", "special"};

akohlmey · December 13, 2024, 7:49pm

That depends on the atom style and thus the corresponding AtomVec derived class instance.