diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp
index e5c47745a..c0c97d161 100644
--- a/src/USER-EFF/atom_vec_electron.cpp
+++ b/src/USER-EFF/atom_vec_electron.cpp
@@ -1,850 +1,850 @@
 /* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
    
    Copyright (2003) Sandia Corporation.  Under the terms of Contract
    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
    certain rights in this software.  This software is distributed under 
    the GNU General Public License.
    
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
    Contributing author: Andres Jaramillo-Botero (Caltech)
 ------------------------------------------------------------------------- */
 
 #include "math.h"
 #include "stdlib.h"
 #include "atom_vec_electron.h"
 #include "atom.h"
 #include "domain.h"
 #include "modify.h"
 #include "force.h"
 #include "fix.h"
 #include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
 
 #define DELTA 10000
 
 /* ---------------------------------------------------------------------- */
 
 AtomVecElectron::AtomVecElectron(LAMMPS *lmp, int narg, char **arg) :
   AtomVec(lmp, narg, arg)
 {
   comm_x_only = comm_f_only = 0;
   
   mass_type = 1;
   molecular = 0;
   
   size_forward = 4;
   size_reverse = 4;	
   size_border = 9;	
   size_velocity = 3;
   size_data_atom = 8;
   size_data_vel = 5;
   xcol_data = 6;
   
   atom->electron_flag = 1;
   atom->q_flag = atom->spin_flag = atom->eradius_flag = 
     atom->ervel_flag = atom->erforce_flag = 1;
 }
 
 /* ----------------------------------------------------------------------
    grow atom-electron arrays
    n = 0 grows arrays by DELTA
    n > 0 allocates arrays to size n 
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::grow(int n)
 {
   if (n == 0) nmax += DELTA;
   else nmax = n;
   atom->nmax = nmax;
   
   tag = memory->grow(atom->tag,nmax,"atom:tag");
   type = memory->grow(atom->type,nmax,"atom:type");
   mask = memory->grow(atom->mask,nmax,"atom:mask");
   image = memory->grow(atom->image,nmax,"atom:image");
   x = memory->grow(atom->x,nmax,3,"atom:x");
   v = memory->grow(atom->v,nmax,3,"atom:v");
   f = memory->grow(atom->f,nmax,3,"atom:f");
 
   q = memory->grow(atom->q,nmax,"atom:q");
   spin = memory->grow(atom->spin,nmax,"atom:spin");
   eradius = memory->grow(atom->eradius,nmax,"atom:eradius");
   ervel = memory->grow(atom->ervel,nmax,"atom:ervel");
   erforce = memory->grow(atom->erforce,nmax,"atom:erforce");
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++) 
       modify->fix[atom->extra_grow[iextra]]->grow_arrays(nmax);
 }
 
 /* ----------------------------------------------------------------------
    reset local array ptrs
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::grow_reset()
 {
   tag = atom->tag; type = atom->type;
   mask = atom->mask; image = atom->image;
   x = atom->x; v = atom->v; f = atom->f;
   q = atom->q;
   eradius = atom->eradius; ervel = atom->ervel; erforce = atom->erforce;
 }
 
 /* ----------------------------------------------------------------------
    copy atom I info to atom J
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::copy(int i, int j, int delflag)
 {
   tag[j] = tag[i];
   type[j] = type[i];
   mask[j] = mask[i];
   image[j] = image[i];
   x[j][0] = x[i][0];
   x[j][1] = x[i][1];
   x[j][2] = x[i][2];
   v[j][0] = v[i][0];
   v[j][1] = v[i][1];
   v[j][2] = v[i][2];
   
   q[j] = q[i];
   spin[j] = spin[i];
   eradius[j] = eradius[i];
   ervel[j] = ervel[i];
   
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++) 
       modify->fix[atom->extra_grow[iextra]]->copy_arrays(i,j);
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_comm(int n, int *list, double *buf,
 			       int pbc_flag, int *pbc)
 {
   int i,j,m;
   double dx,dy,dz;
 
   m = 0;
   if (pbc_flag == 0) {
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0];
       buf[m++] = x[j][1];
       buf[m++] = x[j][2];
       buf[m++] = eradius[j];
     }
   } else {
     if (domain->triclinic == 0) {
       dx = pbc[0]*domain->xprd;
       dy = pbc[1]*domain->yprd;
       dz = pbc[2]*domain->zprd;
     } else {
       dx = pbc[0]*domain->xprd + pbc[5]*domain->xy + pbc[4]*domain->xz;
       dy = pbc[1]*domain->yprd + pbc[3]*domain->yz;
       dz = pbc[2]*domain->zprd;
     }
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0] + dx;
       buf[m++] = x[j][1] + dy;
       buf[m++] = x[j][2] + dz;
       buf[m++] = eradius[j];
     }
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_comm_vel(int n, int *list, double *buf,
 				   int pbc_flag, int *pbc)
 {
   int i,j,m;
   double dx,dy,dz,dvx,dvy,dvz;
 
   m = 0;
   if (pbc_flag == 0) {
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0];
       buf[m++] = x[j][1];
       buf[m++] = x[j][2];
       buf[m++] = eradius[j];
       buf[m++] = v[j][0];
       buf[m++] = v[j][1];
       buf[m++] = v[j][2];
     }
   } else {
     if (domain->triclinic == 0) {
       dx = pbc[0]*domain->xprd;
       dy = pbc[1]*domain->yprd;
       dz = pbc[2]*domain->zprd;
     } else {
       dx = pbc[0]*domain->xprd + pbc[5]*domain->xy + pbc[4]*domain->xz;
       dy = pbc[1]*domain->yprd + pbc[3]*domain->yz;
       dz = pbc[2]*domain->zprd;
     }
     if (!deform_vremap) {
       for (i = 0; i < n; i++) {
 	j = list[i];
 	buf[m++] = x[j][0] + dx;
 	buf[m++] = x[j][1] + dy;
 	buf[m++] = x[j][2] + dz;
 	buf[m++] = eradius[j];
 	buf[m++] = v[j][0];
 	buf[m++] = v[j][1];
 	buf[m++] = v[j][2];
       }
     } else {
       dvx = pbc[0]*h_rate[0] + pbc[5]*h_rate[5] + pbc[4]*h_rate[4];
       dvy = pbc[1]*h_rate[1] + pbc[3]*h_rate[3];
       dvz = pbc[2]*h_rate[2];
       for (i = 0; i < n; i++) {
 	j = list[i];
 	buf[m++] = x[j][0] + dx;
 	buf[m++] = x[j][1] + dy;
 	buf[m++] = x[j][2] + dz;
 	buf[m++] = eradius[j];
 	if (mask[i] & deform_groupbit) {
 	  buf[m++] = v[j][0] + dvx;
 	  buf[m++] = v[j][1] + dvy;
 	  buf[m++] = v[j][2] + dvz;
 	} else {
 	  buf[m++] = v[j][0];
 	  buf[m++] = v[j][1];
 	  buf[m++] = v[j][2];
 	}
       }
     }
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_comm_hybrid(int n, int *list, double *buf)
 {
   int i,j,m;
 
   m = 0;
   for (i = 0; i < n; i++) {
     j = list[i];
-    buf[m++] = eradius[i];
+    buf[m++] = eradius[j];
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void AtomVecElectron::unpack_comm(int n, int first, double *buf)
 {
   int i,m,last;
   
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     x[i][0] = buf[m++];
     x[i][1] = buf[m++];
     x[i][2] = buf[m++];
     eradius[i] = buf[m++];
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 void AtomVecElectron::unpack_comm_vel(int n, int first, double *buf)
 {
   int i,m,last;
   
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     x[i][0] = buf[m++];
     x[i][1] = buf[m++];
     x[i][2] = buf[m++];
     eradius[i] = buf[m++];
     v[i][0] = buf[m++];
     v[i][1] = buf[m++];
     v[i][2] = buf[m++];
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::unpack_comm_hybrid(int n, int first, double *buf)
 {
   int i,m,last;
 
   m = 0;
   last = first + n;
   for (i = first; i < last; i++)
     eradius[i] = buf[m++];
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_reverse(int n, int first, double *buf)
 {
   int i,m,last;
   
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     buf[m++] = f[i][0];
     buf[m++] = f[i][1];
     buf[m++] = f[i][2];
     buf[m++] = erforce[i];
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_reverse_hybrid(int n, int first, double *buf)
 {
   int i,m,last;
 
   m = 0;
   last = first + n;
   for (i = first; i < last; i++)
     buf[m++] = erforce[i];
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void AtomVecElectron::unpack_reverse(int n, int *list, double *buf)
 {
   int i,j,m;
   
   m = 0;
   for (i = 0; i < n; i++) {
     j = list[i];
     f[j][0] += buf[m++];
     f[j][1] += buf[m++];
     f[j][2] += buf[m++];
     erforce[j] += buf[m++];
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::unpack_reverse_hybrid(int n, int *list, double *buf)
 {
   int i,j,m;
 
   m = 0;
   for (i = 0; i < n; i++) {
     j = list[i];
     erforce[j] += buf[m++];
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_border(int n, int *list, double *buf,
 				 int pbc_flag, int *pbc)
 {
   int i,j,m;
   double dx,dy,dz;
 
   m = 0;
   if (pbc_flag == 0) {
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0];
       buf[m++] = x[j][1];
       buf[m++] = x[j][2];
       buf[m++] = tag[j];
       buf[m++] = type[j];
       buf[m++] = mask[j];
       buf[m++] = q[j];
       buf[m++] = spin[j];
       buf[m++] = eradius[j];
     }
   } else {
     if (domain->triclinic == 0) {
       dx = pbc[0]*domain->xprd;
       dy = pbc[1]*domain->yprd;
       dz = pbc[2]*domain->zprd;
     } else {
       dx = pbc[0];
       dy = pbc[1];
       dz = pbc[2];
     }
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0] + dx;
       buf[m++] = x[j][1] + dy;
       buf[m++] = x[j][2] + dz;
       buf[m++] = tag[j];
       buf[m++] = type[j];
       buf[m++] = mask[j];
       buf[m++] = q[j];
       buf[m++] = spin[j];
       buf[m++] = eradius[j];
     }
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_border_vel(int n, int *list, double *buf,
 				     int pbc_flag, int *pbc)
 {
   int i,j,m;
   double dx,dy,dz,dvx,dvy,dvz;
 
   m = 0;
   if (pbc_flag == 0) {
     for (i = 0; i < n; i++) {
       j = list[i];
       buf[m++] = x[j][0];
       buf[m++] = x[j][1];
       buf[m++] = x[j][2];
       buf[m++] = tag[j];
       buf[m++] = type[j];
       buf[m++] = mask[j];
       buf[m++] = q[j];
       buf[m++] = spin[j];
       buf[m++] = eradius[j];
       buf[m++] = v[j][0];
       buf[m++] = v[j][1];
       buf[m++] = v[j][2];
     }
   } else {
     if (domain->triclinic == 0) {
       dx = pbc[0]*domain->xprd;
       dy = pbc[1]*domain->yprd;
       dz = pbc[2]*domain->zprd;
     } else {
       dx = pbc[0];
       dy = pbc[1];
       dz = pbc[2];
     }
     if (domain->triclinic == 0) {
       for (i = 0; i < n; i++) {
 	j = list[i];
 	buf[m++] = x[j][0] + dx;
 	buf[m++] = x[j][1] + dy;
 	buf[m++] = x[j][2] + dz;
 	buf[m++] = tag[j];
 	buf[m++] = type[j];
 	buf[m++] = mask[j];
 	buf[m++] = q[j];
 	buf[m++] = spin[j];
 	buf[m++] = eradius[j];
 	buf[m++] = v[j][0];
 	buf[m++] = v[j][1];
 	buf[m++] = v[j][2];
       }
     } else {
       dvx = pbc[0]*h_rate[0] + pbc[5]*h_rate[5] + pbc[4]*h_rate[4];
       dvy = pbc[1]*h_rate[1] + pbc[3]*h_rate[3];
       dvz = pbc[2]*h_rate[2];
       for (i = 0; i < n; i++) {
 	j = list[i];
 	buf[m++] = x[j][0] + dx;
 	buf[m++] = x[j][1] + dy;
 	buf[m++] = x[j][2] + dz;
 	buf[m++] = tag[j];
 	buf[m++] = type[j];
 	buf[m++] = mask[j];
 	buf[m++] = q[j];
 	buf[m++] = spin[j];
 	buf[m++] = eradius[j];
 	if (mask[i] & deform_groupbit) {
 	  buf[m++] = v[j][0] + dvx;
 	  buf[m++] = v[j][1] + dvy;
 	  buf[m++] = v[j][2] + dvz;
 	} else {
 	  buf[m++] = v[j][0];
 	  buf[m++] = v[j][1];
 	  buf[m++] = v[j][2];
 	}
       }
     }
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_border_hybrid(int n, int *list, double *buf)
 {
   int i,j,m;
 
   m = 0;
   for (i = 0; i < n; i++) {
     j = list[i];
     buf[m++] = q[j];
     buf[m++] = spin[j];
     buf[m++] = eradius[j];
   }
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void AtomVecElectron::unpack_border(int n, int first, double *buf)
 {
   int i,m,last;
   
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
     x[i][0] = buf[m++];
     x[i][1] = buf[m++];
     x[i][2] = buf[m++];
     tag[i] = static_cast<int> (buf[m++]);
     type[i] = static_cast<int> (buf[m++]);
     mask[i] = static_cast<int> (buf[m++]);		
     q[i] = buf[m++];
     spin[i] = static_cast<int> (buf[m++]);
     eradius[i] = buf[m++];
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 void AtomVecElectron::unpack_border_vel(int n, int first, double *buf)
 {
   int i,m,last;
   
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
     x[i][0] = buf[m++];
     x[i][1] = buf[m++];
     x[i][2] = buf[m++];
     tag[i] = static_cast<int> (buf[m++]);
     type[i] = static_cast<int> (buf[m++]);
     mask[i] = static_cast<int> (buf[m++]);
     q[i] = buf[m++];
     spin[i] = static_cast<int> (buf[m++]);
     eradius[i] = buf[m++];
     v[i][0] = buf[m++];
     v[i][1] = buf[m++];
     v[i][2] = buf[m++];
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::unpack_border_hybrid(int n, int first, double *buf)
 {
   int i,m,last;
 
   m = 0;
   last = first + n;
   for (i = first; i < last; i++) {
     q[i] = buf[m++];
     spin[i] = static_cast<int> (buf[m++]);
     eradius[i] = buf[m++];
   }
   return m;
 }
 
 /* ----------------------------------------------------------------------
    pack data for atom I for sending to another proc
    xyz must be 1st 3 values, so comm::exchange() can test on them 
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_exchange(int i, double *buf)
 {
   int m = 1;
   buf[m++] = x[i][0];
   buf[m++] = x[i][1];
   buf[m++] = x[i][2];
   buf[m++] = v[i][0];
   buf[m++] = v[i][1];
   buf[m++] = v[i][2];
   buf[m++] = tag[i];
   buf[m++] = type[i];
   buf[m++] = mask[i];
   buf[m++] = image[i];	
   buf[m++] = q[i];
   buf[m++] = spin[i];
   buf[m++] = eradius[i];
   buf[m++] = ervel[i];
   
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++) 
       m += modify->fix[atom->extra_grow[iextra]]->pack_exchange(i,&buf[m]);
   
   buf[0] = m;
   return m;
 }
 
 /* ---------------------------------------------------------------------- */
 
 int AtomVecElectron::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
   
   int m = 1;
   x[nlocal][0] = buf[m++];
   x[nlocal][1] = buf[m++];
   x[nlocal][2] = buf[m++];
   v[nlocal][0] = buf[m++];
   v[nlocal][1] = buf[m++];
   v[nlocal][2] = buf[m++];
   tag[nlocal] = static_cast<int> (buf[m++]);
   type[nlocal] = static_cast<int> (buf[m++]);
   mask[nlocal] = static_cast<int> (buf[m++]);
   image[nlocal] = static_cast<int> (buf[m++]);	
   q[nlocal] = buf[m++];
   spin[nlocal] = static_cast<int> (buf[m++]);
   eradius[nlocal] = buf[m++];
   ervel[nlocal] = buf[m++];
   
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++) 
       m += modify->fix[atom->extra_grow[iextra]]->
 	unpack_exchange(nlocal,&buf[m]);
   
   atom->nlocal++;
   return m;
 }
 
 /* ----------------------------------------------------------------------
    size of restart data for all atoms owned by this proc
    include extra data stored by fixes
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::size_restart()
 {
   int i;
   
   int nlocal = atom->nlocal;
   int n = 15 * nlocal;	// Associated with pack_restart
   
   if (atom->nextra_restart)
     for (int iextra = 0; iextra < atom->nextra_restart; iextra++) 
       for (i = 0; i < nlocal; i++)
 	n += modify->fix[atom->extra_restart[iextra]]->size_restart(i);
   
   return n;
 }
 
 /* ----------------------------------------------------------------------
    pack atom I's data for restart file including extra quantities
    xyz must be 1st 3 values, so that read_restart can test on them
    molecular types may be negative, but write as positive   
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::pack_restart(int i, double *buf)
 {
   int m = 1;
   buf[m++] = x[i][0];
   buf[m++] = x[i][1];
   buf[m++] = x[i][2];
   buf[m++] = tag[i];
   buf[m++] = type[i];
   buf[m++] = mask[i];
   buf[m++] = image[i];
   buf[m++] = v[i][0];
   buf[m++] = v[i][1];
   buf[m++] = v[i][2];
   
   buf[m++] = q[i];
   buf[m++] = spin[i];
   buf[m++] = eradius[i];
   buf[m++] = ervel[i];
   
   if (atom->nextra_restart)
     for (int iextra = 0; iextra < atom->nextra_restart; iextra++) 
       m += modify->fix[atom->extra_restart[iextra]]->pack_restart(i,&buf[m]);
   
   buf[0] = m;
   return m;
 }
 
 /* ----------------------------------------------------------------------
    unpack data for one atom from restart file including extra quantities
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::unpack_restart(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) {
     grow(0);
     if (atom->nextra_store)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
   
   int m = 1;
   x[nlocal][0] = buf[m++];
   x[nlocal][1] = buf[m++];
   x[nlocal][2] = buf[m++];
   tag[nlocal] = static_cast<int> (buf[m++]);
   type[nlocal] = static_cast<int> (buf[m++]);
   mask[nlocal] = static_cast<int> (buf[m++]);
   image[nlocal] = static_cast<int> (buf[m++]);
   v[nlocal][0] = buf[m++];
   v[nlocal][1] = buf[m++];
   v[nlocal][2] = buf[m++];
   
   q[nlocal] = buf[m++];
   spin[nlocal] = static_cast<int> (buf[m++]);
   eradius[nlocal] = buf[m++];
   ervel[nlocal] = buf[m++];
   
   double **extra = atom->extra;
   if (atom->nextra_store) {
     int size = static_cast<int> (buf[0]) - m;
     for (int i = 0; i < size; i++) extra[nlocal][i] = buf[m++];
   }
   
   atom->nlocal++;
   return m;
 }
 
 /* ----------------------------------------------------------------------
    create one atom of itype at coord
    set other values to defaults
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::create_atom(int itype, double *coord)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
   
   tag[nlocal] = 0;
   type[nlocal] = itype;
   x[nlocal][0] = coord[0];
   x[nlocal][1] = coord[1];
   x[nlocal][2] = coord[2];
   mask[nlocal] = 1;
   image[nlocal] = (512 << 20) | (512 << 10) | 512;
   v[nlocal][0] = 0.0;
   v[nlocal][1] = 0.0;
   v[nlocal][2] = 0.0;
   
   q[nlocal] = 0.0;
   spin[nlocal] = 1;
   eradius[nlocal] = 1.0;	
   ervel[nlocal] = 0.0; 
   
   atom->nlocal++;
 }
 
 /* ----------------------------------------------------------------------
    unpack one line from Atoms section of data file
    initialize other atom quantities
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::data_atom(double *coord, int imagetmp, char **values)
 {
   int nlocal = atom->nlocal;
   
   if (nlocal == nmax) grow(0);
   
   tag[nlocal] = atoi(values[0]);
   if (tag[nlocal] <= 0)
     error->one("Invalid atom ID in Atoms section of data file");
   
   type[nlocal] = atoi(values[1]);
   if (type[nlocal] <= 0 || type[nlocal] > atom->ntypes)
     error->one("Invalid atom type in Atoms section of data file");
   
   q[nlocal] = atof(values[2]);
   spin[nlocal] = atoi(values[3]);
   eradius[nlocal] = atof(values[4]);
   
   x[nlocal][0] = coord[0];
   x[nlocal][1] = coord[1];
   x[nlocal][2] = coord[2];
   
   image[nlocal] = imagetmp;
   
   mask[nlocal] = 1;
   v[nlocal][0] = 0.0;
   v[nlocal][1] = 0.0;
   v[nlocal][2] = 0.0;
   ervel[nlocal] = 0.0;
   
   atom->nlocal++;
 }
 
 /* ----------------------------------------------------------------------
    unpack hybrid quantities from one line in Atoms section of data file
    initialize other atom quantities for this sub-style
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::data_atom_hybrid(int nlocal, char **values)
 {
   q[nlocal] = atof(values[0]);
   spin[nlocal] = atoi(values[1]);
   eradius[nlocal] = atof(values[2]);
   if (eradius[nlocal] < 0.0)
     error->one("Invalid eradius in Atoms section of data file");
   
   v[nlocal][0] = 0.0;
   v[nlocal][1] = 0.0;
   v[nlocal][2] = 0.0;
   ervel[nlocal] = 0.0;
   
   return 3;
 }
 
 /* ----------------------------------------------------------------------
    unpack one line from Velocities section of data file
 ------------------------------------------------------------------------- */
 
 void AtomVecElectron::data_vel(int m, char **values)
 {
   v[m][0] = atof(values[0]);
   v[m][1] = atof(values[1]);
   v[m][2] = atof(values[2]);
   ervel[m] = atof(values[3]);
 }
 
 /* ----------------------------------------------------------------------
    unpack hybrid quantities from one line in Velocities section of data file
 ------------------------------------------------------------------------- */
 
 int AtomVecElectron::data_vel_hybrid(int m, char **values)
 {
   ervel[m] = atof(values[0]);
   return 1;
 }
 
 /* ----------------------------------------------------------------------
    return # of bytes of allocated memory 
 ------------------------------------------------------------------------- */
 
 bigint AtomVecElectron::memory_usage()
 {
   bigint bytes = 0;
   
   if (atom->memcheck("tag")) bytes += memory->usage(tag,nmax);
   if (atom->memcheck("type")) bytes += memory->usage(type,nmax);
   if (atom->memcheck("mask")) bytes += memory->usage(mask,nmax);
   if (atom->memcheck("image")) bytes += memory->usage(image,nmax);
   if (atom->memcheck("x")) bytes += memory->usage(x,nmax,3);
   if (atom->memcheck("v")) bytes += memory->usage(v,nmax,3);
   if (atom->memcheck("f")) bytes += memory->usage(f,nmax,3);
   
   if (atom->memcheck("q")) bytes += memory->usage(q,nmax);
   if (atom->memcheck("spin")) bytes += memory->usage(spin,nmax);
   if (atom->memcheck("eradius")) bytes += memory->usage(eradius,nmax);
   if (atom->memcheck("ervel")) bytes += memory->usage(ervel,nmax);
   if (atom->memcheck("erforce")) bytes += memory->usage(erforce,nmax);
   
   return bytes;
 }