diff --git a/src/SPIN/atom_vec_spin.cpp b/src/SPIN/atom_vec_spin.cpp index 22cd78036b..d548300179 100644 --- a/src/SPIN/atom_vec_spin.cpp +++ b/src/SPIN/atom_vec_spin.cpp @@ -42,7 +42,9 @@ using namespace LAMMPS_NS; AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp) { molecular = 0; - mass_type = 1; // check why + mass_type = 1; + forceclearflag = 1; + atom->sp_flag = 1; comm_x_only = 0; comm_f_only = 0; @@ -54,10 +56,6 @@ AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp) size_data_atom = 9; size_data_vel = 4; xcol_data = 4; - - forceclearflag = 1; - atom->sp_flag = 1; - } diff --git a/src/atom.cpp b/src/atom.cpp index 3a4d2c3b38..a8e0d1556d 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -169,7 +169,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp) omega_flag = torque_flag = angmom_flag = 0; radius_flag = rmass_flag = 0; ellipsoid_flag = line_flag = tri_flag = body_flag = 0; - + // magnetic flags sp_flag = 0; diff --git a/src/modify.cpp b/src/modify.cpp index 61b9f1d71d..c5a680a3bd 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -1,5 +1,4 @@ /* ---------------------------------------------------------------------- -eoundary p f f LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/set.cpp b/src/set.cpp index d5221a57a0..0294f93e5d 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -44,7 +44,8 @@ using namespace MathConst; enum{ATOM_SELECT,MOL_SELECT,TYPE_SELECT,GROUP_SELECT,REGION_SELECT}; enum{TYPE,TYPE_FRACTION,MOLECULE,X,Y,Z,CHARGE,MASS,SHAPE,LENGTH,TRI, - DIPOLE,DIPOLE_RANDOM,SPIN,SPIN_RANDOM,QUAT,QUAT_RANDOM,THETA,THETA_RANDOM,ANGMOM,OMEGA, + DIPOLE,DIPOLE_RANDOM,SPIN,SPIN_RANDOM,QUAT,QUAT_RANDOM, + THETA,THETA_RANDOM,ANGMOM,OMEGA, DIAMETER,DENSITY,VOLUME,IMAGE,BOND,ANGLE,DIHEDRAL,IMPROPER, MESO_E,MESO_CV,MESO_RHO,EDPD_TEMP,EDPD_CV,CC,SMD_MASS_DENSITY, SMD_CONTACT_RADIUS,DPDTHETA,INAME,DNAME};