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lammps
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need to copy maxspecial and "extra" data to do a proper recreation

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Axel Kohlmeyer 2020-04-20 15:27:30 -04:00
parent 0766350838
commit 1c15ba88f3
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1 changed files with 6 additions and 0 deletions
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6
src/replicate.cpp
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@ -196,6 +196,12 @@ void Replicate::command(int narg, char **arg)
atom->dihedral_per_atom = old->dihedral_per_atom; atom->dihedral_per_atom = old->dihedral_per_atom;
atom->improper_per_atom = old->improper_per_atom; atom->improper_per_atom = old->improper_per_atom;
atom->extra_bond_per_atom = old->extra_bond_per_atom;
atom->extra_angle_per_atom = old->extra_angle_per_atom;
atom->extra_dihedral_per_atom = old->extra_dihedral_per_atom;
atom->extra_improper_per_atom = old->extra_improper_per_atom;
atom->maxspecial = old->maxspecial;
// store old simulation box // store old simulation box
int triclinic = domain->triclinic; int triclinic = domain->triclinic;