Loading src/MOLECULE/atom_vec_molecular.cpp +24 −24 Original line number Diff line number Diff line Loading @@ -677,33 +677,33 @@ int AtomVecMolecular::unpack_exchange(double *buf) num_bond[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_bond[nlocal]; k++) { bond_type[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_angle[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_angle[nlocal]; k++) { angle_type[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_dihedral[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_dihedral[nlocal]; k++) { dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_improper[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_improper[nlocal]; k++) { improper_type[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } nspecial[nlocal][0] = (int) ubuf(buf[m++]).i; Loading Loading @@ -840,33 +840,33 @@ int AtomVecMolecular::unpack_restart(double *buf) num_bond[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_bond[nlocal]; k++) { bond_type[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_angle[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_angle[nlocal]; k++) { angle_type[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_dihedral[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_dihedral[nlocal]; k++) { dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_improper[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_improper[nlocal]; k++) { improper_type[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } nspecial[nlocal][0] = nspecial[nlocal][1] = nspecial[nlocal][2] = 0; Loading Loading
src/MOLECULE/atom_vec_molecular.cpp +24 −24 Original line number Diff line number Diff line Loading @@ -677,33 +677,33 @@ int AtomVecMolecular::unpack_exchange(double *buf) num_bond[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_bond[nlocal]; k++) { bond_type[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_angle[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_angle[nlocal]; k++) { angle_type[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_dihedral[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_dihedral[nlocal]; k++) { dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_improper[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_improper[nlocal]; k++) { improper_type[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } nspecial[nlocal][0] = (int) ubuf(buf[m++]).i; Loading Loading @@ -840,33 +840,33 @@ int AtomVecMolecular::unpack_restart(double *buf) num_bond[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_bond[nlocal]; k++) { bond_type[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i; bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_angle[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_angle[nlocal]; k++) { angle_type[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_dihedral[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_dihedral[nlocal]; k++) { dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } num_improper[nlocal] = (int) ubuf(buf[m++]).i; for (k = 0; k < num_improper[nlocal]; k++) { improper_type[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i; improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i; improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i; } nspecial[nlocal][0] = nspecial[nlocal][1] = nspecial[nlocal][2] = 0; Loading
