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@ -32,7 +32,7 @@ AtomVecMesoNT::AtomVecMesoNT(LAMMPS *lmp) : AtomVec(lmp)
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mass_type = 1;
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atom->mesont_flag = 1;
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molecular = 0;
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comm_x_only = comm_f_only = 1;
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size_forward = 3;
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size_reverse = 3;
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@ -36,11 +36,11 @@ class ComputeMesoNT : public Compute {
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int pack_reverse_comm(int, int, double *);
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void unpack_reverse_comm(int, int *, double *);
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double memory_usage();
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private:
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int nmax;
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double *energy;
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enum ComputeType {ES, EB, ET, ESTOT, EBTOT, ETTOT};
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ComputeType compute_type;
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};
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@ -109,7 +109,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
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edpd_temp = edpd_flux = edpd_cv = NULL;
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// USER-MESONT package
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mesont_flag = 0;
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length = NULL;
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buckling = NULL;
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@ -378,7 +378,7 @@ Atom::~Atom()
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memory->sfree(molecules);
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// USER-MESONT package
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memory->destroy(length);
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memory->destroy(buckling);
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memory->destroy(bond_nt);
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