diff --git a/lib/meam/Makefile.lammps b/lib/meam/Makefile.lammps
index a712df2d6..fa62c997d 100644
--- a/lib/meam/Makefile.lammps
+++ b/lib/meam/Makefile.lammps
@@ -1,5 +1,5 @@
 # Settings that the LAMMPS build will import when this package library is used
 
 meam_SYSINC =
 meam_SYSLIB = -lgfortran
-meam_SYSPATH = 
+meam_SYSPATH =
diff --git a/src/pair_table.cpp b/src/pair_table.cpp
index 17e9058b6..664db4766 100644
--- a/src/pair_table.cpp
+++ b/src/pair_table.cpp
@@ -1,957 +1,962 @@
 /* ----------------------------------------------------------------------
    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: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
 #include "mpi.h"
 #include "math.h"
 #include "stdlib.h"
 #include "string.h"
+#include "ctype.h"
 #include "pair_table.h"
 #include "atom.h"
 #include "force.h"
 #include "comm.h"
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
 
 enum{NONE,RLINEAR,RSQ,BMP};
 
 #define MAXLINE 1024
 
 /* ---------------------------------------------------------------------- */
 
 PairTable::PairTable(LAMMPS *lmp) : Pair(lmp)
 {
   ntables = 0;
   tables = NULL;
 }
 
 /* ---------------------------------------------------------------------- */
 
 PairTable::~PairTable()
 {
   for (int m = 0; m < ntables; m++) free_table(&tables[m]);
   memory->sfree(tables);
 
   if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
     memory->destroy(tabindex);
   }
 }
 
 /* ---------------------------------------------------------------------- */
 
 void PairTable::compute(int eflag, int vflag)
 {
   int i,j,ii,jj,inum,jnum,itype,jtype,itable;
   double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
   double rsq,factor_lj,fraction,value,a,b;
   int *ilist,*jlist,*numneigh,**firstneigh;
   Table *tb;
 
   union_int_float_t rsq_lookup;
   int tlm1 = tablength - 1;
 
   evdwl = 0.0;
   if (eflag || vflag) ev_setup(eflag,vflag);
   else evflag = vflag_fdotr = 0;
 
   double **x = atom->x;
   double **f = atom->f;
   int *type = atom->type;
   int nlocal = atom->nlocal;
   double *special_lj = force->special_lj;
   int newton_pair = force->newton_pair;
 
   inum = list->inum;
   ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
 
   // loop over neighbors of my atoms
 
   for (ii = 0; ii < inum; ii++) {
     i = ilist[ii];
     xtmp = x[i][0];
     ytmp = x[i][1];
     ztmp = x[i][2];
     itype = type[i];
     jlist = firstneigh[i];
     jnum = numneigh[i];
 
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
       factor_lj = special_lj[sbmask(j)];
       j &= NEIGHMASK;
 
       delx = xtmp - x[j][0];
       dely = ytmp - x[j][1];
       delz = ztmp - x[j][2];
       rsq = delx*delx + dely*dely + delz*delz;
       jtype = type[j];
 
       if (rsq < cutsq[itype][jtype]) {
         tb = &tables[tabindex[itype][jtype]];
         if (rsq < tb->innersq)
           error->one(FLERR,"Pair distance < table inner cutoff");
 
         if (tabstyle == LOOKUP) {
           itable = static_cast<int> ((rsq - tb->innersq) * tb->invdelta);
           if (itable >= tlm1)
             error->one(FLERR,"Pair distance > table outer cutoff");
           fpair = factor_lj * tb->f[itable];
         } else if (tabstyle == LINEAR) {
           itable = static_cast<int> ((rsq - tb->innersq) * tb->invdelta);
           if (itable >= tlm1)
             error->one(FLERR,"Pair distance > table outer cutoff");
           fraction = (rsq - tb->rsq[itable]) * tb->invdelta;
           value = tb->f[itable] + fraction*tb->df[itable];
           fpair = factor_lj * value;
         } else if (tabstyle == SPLINE) {
           itable = static_cast<int> ((rsq - tb->innersq) * tb->invdelta);
           if (itable >= tlm1)
             error->one(FLERR,"Pair distance > table outer cutoff");
           b = (rsq - tb->rsq[itable]) * tb->invdelta;
           a = 1.0 - b;
           value = a * tb->f[itable] + b * tb->f[itable+1] +
             ((a*a*a-a)*tb->f2[itable] + (b*b*b-b)*tb->f2[itable+1]) *
             tb->deltasq6;
           fpair = factor_lj * value;
         } else {
           rsq_lookup.f = rsq;
           itable = rsq_lookup.i & tb->nmask;
           itable >>= tb->nshiftbits;
           fraction = (rsq_lookup.f - tb->rsq[itable]) * tb->drsq[itable];
           value = tb->f[itable] + fraction*tb->df[itable];
           fpair = factor_lj * value;
         }
 
         f[i][0] += delx*fpair;
         f[i][1] += dely*fpair;
         f[i][2] += delz*fpair;
         if (newton_pair || j < nlocal) {
           f[j][0] -= delx*fpair;
           f[j][1] -= dely*fpair;
           f[j][2] -= delz*fpair;
         }
 
         if (eflag) {
           if (tabstyle == LOOKUP)
             evdwl = tb->e[itable];
           else if (tabstyle == LINEAR || tabstyle == BITMAP)
             evdwl = tb->e[itable] + fraction*tb->de[itable];
           else
             evdwl = a * tb->e[itable] + b * tb->e[itable+1] +
               ((a*a*a-a)*tb->e2[itable] + (b*b*b-b)*tb->e2[itable+1]) *
               tb->deltasq6;
           evdwl *= factor_lj;
         }
 
         if (evflag) ev_tally(i,j,nlocal,newton_pair,
                              evdwl,0.0,fpair,delx,dely,delz);
       }
     }
   }
 
   if (vflag_fdotr) virial_fdotr_compute();
 }
 
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
 
 void PairTable::allocate()
 {
   allocated = 1;
   int nt = atom->ntypes;
 
   memory->create(setflag,nt+1,nt+1,"pair:setflag");
   for (int i = 1; i <= nt; i++)
     for (int j = i; j <= nt; j++)
       setflag[i][j] = 0;
 
   memory->create(cutsq,nt+1,nt+1,"pair:cutsq");
   memory->create(tabindex,nt+1,nt+1,"pair:tabindex");
 }
 
 /* ----------------------------------------------------------------------
    global settings
 ------------------------------------------------------------------------- */
 
 void PairTable::settings(int narg, char **arg)
 {
   if (narg != 2) error->all(FLERR,"Illegal pair_style command");
 
   // new settings
 
   if (strcmp(arg[0],"lookup") == 0) tabstyle = LOOKUP;
   else if (strcmp(arg[0],"linear") == 0) tabstyle = LINEAR;
   else if (strcmp(arg[0],"spline") == 0) tabstyle = SPLINE;
   else if (strcmp(arg[0],"bitmap") == 0) tabstyle = BITMAP;
   else error->all(FLERR,"Unknown table style in pair_style command");
 
   tablength = force->inumeric(arg[1]);
   if (tablength < 2) error->all(FLERR,"Illegal number of pair table entries");
 
   // delete old tables, since cannot just change settings
 
   for (int m = 0; m < ntables; m++) free_table(&tables[m]);
   memory->sfree(tables);
 
   if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
     memory->destroy(tabindex);
   }
   allocated = 0;
 
   ntables = 0;
   tables = NULL;
 }
 
 /* ----------------------------------------------------------------------
    set coeffs for one or more type pairs
 ------------------------------------------------------------------------- */
 
 void PairTable::coeff(int narg, char **arg)
 {
   if (narg != 4 && narg != 5) error->all(FLERR,"Illegal pair_coeff command");
   if (!allocated) allocate();
 
   int ilo,ihi,jlo,jhi;
   force->bounds(arg[0],atom->ntypes,ilo,ihi);
   force->bounds(arg[1],atom->ntypes,jlo,jhi);
 
   int me;
   MPI_Comm_rank(world,&me);
   tables = (Table *)
     memory->srealloc(tables,(ntables+1)*sizeof(Table),"pair:tables");
   Table *tb = &tables[ntables];
   null_table(tb);
   if (me == 0) read_table(tb,arg[2],arg[3]);
   bcast_table(tb);
 
   // set table cutoff
 
   if (narg == 5) tb->cut = force->numeric(arg[4]);
   else if (tb->rflag) tb->cut = tb->rhi;
   else tb->cut = tb->rfile[tb->ninput-1];
 
   // error check on table parameters
   // insure cutoff is within table
   // for BITMAP tables, file values can be in non-ascending order
 
   if (tb->ninput <= 1) error->one(FLERR,"Invalid pair table length");
   double rlo,rhi;
   if (tb->rflag == 0) {
     rlo = tb->rfile[0];
     rhi = tb->rfile[tb->ninput-1];
   } else {
     rlo = tb->rlo;
     rhi = tb->rhi;
   }
   if (tb->cut <= rlo || tb->cut > rhi)
     error->all(FLERR,"Invalid pair table cutoff");
   if (rlo <= 0.0) error->all(FLERR,"Invalid pair table cutoff");
 
   // match = 1 if don't need to spline read-in tables
   // this is only the case if r values needed by final tables
   //   exactly match r values read from file
   // for tabstyle SPLINE, always need to build spline tables
 
   tb->match = 0;
   if (tabstyle == LINEAR && tb->ninput == tablength &&
       tb->rflag == RSQ && tb->rhi == tb->cut) tb->match = 1;
   if (tabstyle == BITMAP && tb->ninput == 1 << tablength &&
       tb->rflag == BMP && tb->rhi == tb->cut) tb->match = 1;
   if (tb->rflag == BMP && tb->match == 0)
     error->all(FLERR,"Bitmapped table in file does not match requested table");
 
   // spline read-in values and compute r,e,f vectors within table
 
   if (tb->match == 0) spline_table(tb);
   compute_table(tb);
 
   // store ptr to table in tabindex
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {
     for (int j = MAX(jlo,i); j <= jhi; j++) {
       tabindex[i][j] = ntables;
       setflag[i][j] = 1;
       count++;
     }
   }
 
   if (count == 0) error->all(FLERR,"Illegal pair_coeff command");
   ntables++;
 }
 
 /* ----------------------------------------------------------------------
    init for one type pair i,j and corresponding j,i
 ------------------------------------------------------------------------- */
 
 double PairTable::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
 
   tabindex[j][i] = tabindex[i][j];
 
   return tables[tabindex[i][j]].cut;
 }
 
 /* ----------------------------------------------------------------------
    read a table section from a tabulated potential file
    only called by proc 0
    this function sets these values in Table:
      ninput,rfile,efile,ffile,rflag,rlo,rhi,fpflag,fplo,fphi,ntablebits
 ------------------------------------------------------------------------- */
 
 void PairTable::read_table(Table *tb, char *file, char *keyword)
 {
   char line[MAXLINE];
 
   // open file
 
   FILE *fp = fopen(file,"r");
   if (fp == NULL) {
     char str[128];
     sprintf(str,"Cannot open file %s",file);
     error->one(FLERR,str);
   }
 
   // loop until section found with matching keyword
 
   while (1) {
     if (fgets(line,MAXLINE,fp) == NULL)
       error->one(FLERR,"Did not find keyword in table file");
     if (strspn(line," \t\n\r") == strlen(line)) continue;  // blank line
     if (line[0] == '#') continue;                          // comment
-    if (strstr(line,keyword) == line) break;               // matching keyword
+    int i = 0;
+    while (isalnum(line[i]) || line[i] == '_') i++;
+    char *word = new char[i];
+    strncpy(word,&line[0],i);
+    if (strcmp(word,keyword) == 0) break;               // matching keyword
     fgets(line,MAXLINE,fp);                         // no match, skip section
     param_extract(tb,line);
     fgets(line,MAXLINE,fp);
     for (int i = 0; i < tb->ninput; i++) fgets(line,MAXLINE,fp);
   }
 
   // read args on 2nd line of section
   // allocate table arrays for file values
 
   fgets(line,MAXLINE,fp);
   param_extract(tb,line);
   memory->create(tb->rfile,tb->ninput,"pair:rfile");
   memory->create(tb->efile,tb->ninput,"pair:efile");
   memory->create(tb->ffile,tb->ninput,"pair:ffile");
 
   // setup bitmap parameters for table to read in
 
   tb->ntablebits = 0;
   int masklo,maskhi,nmask,nshiftbits;
   if (tb->rflag == BMP) {
     while (1 << tb->ntablebits < tb->ninput) tb->ntablebits++;
     if (1 << tb->ntablebits != tb->ninput)
       error->one(FLERR,"Bitmapped table is incorrect length in table file");
     init_bitmap(tb->rlo,tb->rhi,tb->ntablebits,masklo,maskhi,nmask,nshiftbits);
   }
 
   // read r,e,f table values from file
   // if rflag set, compute r
   // if rflag not set, use r from file
 
   int itmp;
   double rtmp;
   union_int_float_t rsq_lookup;
 
   fgets(line,MAXLINE,fp);
   for (int i = 0; i < tb->ninput; i++) {
     fgets(line,MAXLINE,fp);
     sscanf(line,"%d %lg %lg %lg",&itmp,&rtmp,&tb->efile[i],&tb->ffile[i]);
 
     if (tb->rflag == RLINEAR)
       rtmp = tb->rlo + (tb->rhi - tb->rlo)*i/(tb->ninput-1);
     else if (tb->rflag == RSQ) {
       rtmp = tb->rlo*tb->rlo +
         (tb->rhi*tb->rhi - tb->rlo*tb->rlo)*i/(tb->ninput-1);
       rtmp = sqrt(rtmp);
     } else if (tb->rflag == BMP) {
       rsq_lookup.i = i << nshiftbits;
       rsq_lookup.i |= masklo;
       if (rsq_lookup.f < tb->rlo*tb->rlo) {
         rsq_lookup.i = i << nshiftbits;
         rsq_lookup.i |= maskhi;
       }
       rtmp = sqrtf(rsq_lookup.f);
     }
 
     tb->rfile[i] = rtmp;
   }
 
   // close file
 
   fclose(fp);
 }
 
 /* ----------------------------------------------------------------------
    broadcast read-in table info from proc 0 to other procs
    this function communicates these values in Table:
      ninput,rfile,efile,ffile,rflag,rlo,rhi,fpflag,fplo,fphi
 ------------------------------------------------------------------------- */
 
 void PairTable::bcast_table(Table *tb)
 {
   MPI_Bcast(&tb->ninput,1,MPI_INT,0,world);
 
   int me;
   MPI_Comm_rank(world,&me);
   if (me > 0) {
     memory->create(tb->rfile,tb->ninput,"pair:rfile");
     memory->create(tb->efile,tb->ninput,"pair:efile");
     memory->create(tb->ffile,tb->ninput,"pair:ffile");
   }
 
   MPI_Bcast(tb->rfile,tb->ninput,MPI_DOUBLE,0,world);
   MPI_Bcast(tb->efile,tb->ninput,MPI_DOUBLE,0,world);
   MPI_Bcast(tb->ffile,tb->ninput,MPI_DOUBLE,0,world);
 
   MPI_Bcast(&tb->rflag,1,MPI_INT,0,world);
   if (tb->rflag) {
     MPI_Bcast(&tb->rlo,1,MPI_DOUBLE,0,world);
     MPI_Bcast(&tb->rhi,1,MPI_DOUBLE,0,world);
   }
   MPI_Bcast(&tb->fpflag,1,MPI_INT,0,world);
   if (tb->fpflag) {
     MPI_Bcast(&tb->fplo,1,MPI_DOUBLE,0,world);
     MPI_Bcast(&tb->fphi,1,MPI_DOUBLE,0,world);
   }
 }
 
 /* ----------------------------------------------------------------------
    build spline representation of e,f over entire range of read-in table
    this function sets these values in Table: e2file,f2file
 ------------------------------------------------------------------------- */
 
 void PairTable::spline_table(Table *tb)
 {
   memory->create(tb->e2file,tb->ninput,"pair:e2file");
   memory->create(tb->f2file,tb->ninput,"pair:f2file");
 
   double ep0 = - tb->ffile[0];
   double epn = - tb->ffile[tb->ninput-1];
   spline(tb->rfile,tb->efile,tb->ninput,ep0,epn,tb->e2file);
 
   if (tb->fpflag == 0) {
     tb->fplo = (tb->ffile[1] - tb->ffile[0]) / (tb->rfile[1] - tb->rfile[0]);
     tb->fphi = (tb->ffile[tb->ninput-1] - tb->ffile[tb->ninput-2]) /
       (tb->rfile[tb->ninput-1] - tb->rfile[tb->ninput-2]);
   }
 
   double fp0 = tb->fplo;
   double fpn = tb->fphi;
   spline(tb->rfile,tb->ffile,tb->ninput,fp0,fpn,tb->f2file);
 }
 
 /* ----------------------------------------------------------------------
    extract attributes from parameter line in table section
    format of line: N value R/RSQ/BITMAP lo hi FP fplo fphi
    N is required, other params are optional
 ------------------------------------------------------------------------- */
 
 void PairTable::param_extract(Table *tb, char *line)
 {
   tb->ninput = 0;
   tb->rflag = NONE;
   tb->fpflag = 0;
 
   char *word = strtok(line," \t\n\r\f");
   while (word) {
     if (strcmp(word,"N") == 0) {
       word = strtok(NULL," \t\n\r\f");
       tb->ninput = atoi(word);
     } else if (strcmp(word,"R") == 0 || strcmp(word,"RSQ") == 0 ||
                strcmp(word,"BITMAP") == 0) {
       if (strcmp(word,"R") == 0) tb->rflag = RLINEAR;
       else if (strcmp(word,"RSQ") == 0) tb->rflag = RSQ;
       else if (strcmp(word,"BITMAP") == 0) tb->rflag = BMP;
       word = strtok(NULL," \t\n\r\f");
       tb->rlo = atof(word);
       word = strtok(NULL," \t\n\r\f");
       tb->rhi = atof(word);
     } else if (strcmp(word,"FP") == 0) {
       tb->fpflag = 1;
       word = strtok(NULL," \t\n\r\f");
       tb->fplo = atof(word);
       word = strtok(NULL," \t\n\r\f");
       tb->fphi = atof(word);
     } else {
       printf("WORD: %s\n",word);
       error->one(FLERR,"Invalid keyword in pair table parameters");
     }
     word = strtok(NULL," \t\n\r\f");
   }
 
   if (tb->ninput == 0) error->one(FLERR,"Pair table parameters did not set N");
 }
 
 /* ----------------------------------------------------------------------
    compute r,e,f vectors from splined values
 ------------------------------------------------------------------------- */
 
 void PairTable::compute_table(Table *tb)
 {
   int tlm1 = tablength-1;
 
   // inner = inner table bound
   // cut = outer table bound
   // delta = table spacing in rsq for N-1 bins
 
   double inner;
   if (tb->rflag) inner = tb->rlo;
   else inner = tb->rfile[0];
   tb->innersq = inner*inner;
   tb->delta = (tb->cut*tb->cut - tb->innersq) / tlm1;
   tb->invdelta = 1.0/tb->delta;
 
   // direct lookup tables
   // N-1 evenly spaced bins in rsq from inner to cut
   // e,f = value at midpt of bin
   // e,f are N-1 in length since store 1 value at bin midpt
   // f is converted to f/r when stored in f[i]
   // e,f are never a match to read-in values, always computed via spline interp
 
   if (tabstyle == LOOKUP) {
     memory->create(tb->e,tlm1,"pair:e");
     memory->create(tb->f,tlm1,"pair:f");
 
     double r,rsq;
     for (int i = 0; i < tlm1; i++) {
       rsq = tb->innersq + (i+0.5)*tb->delta;
       r = sqrt(rsq);
       tb->e[i] = splint(tb->rfile,tb->efile,tb->e2file,tb->ninput,r);
       tb->f[i] = splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,r)/r;
     }
   }
 
   // linear tables
   // N-1 evenly spaced bins in rsq from inner to cut
   // rsq,e,f = value at lower edge of bin
   // de,df values = delta from lower edge to upper edge of bin
   // rsq,e,f are N in length so de,df arrays can compute difference
   // f is converted to f/r when stored in f[i]
   // e,f can match read-in values, else compute via spline interp
 
   if (tabstyle == LINEAR) {
     memory->create(tb->rsq,tablength,"pair:rsq");
     memory->create(tb->e,tablength,"pair:e");
     memory->create(tb->f,tablength,"pair:f");
     memory->create(tb->de,tlm1,"pair:de");
     memory->create(tb->df,tlm1,"pair:df");
 
     double r,rsq;
     for (int i = 0; i < tablength; i++) {
       rsq = tb->innersq + i*tb->delta;
       r = sqrt(rsq);
       tb->rsq[i] = rsq;
       if (tb->match) {
         tb->e[i] = tb->efile[i];
         tb->f[i] = tb->ffile[i]/r;
       } else {
         tb->e[i] = splint(tb->rfile,tb->efile,tb->e2file,tb->ninput,r);
         tb->f[i] = splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,r)/r;
       }
     }
 
     for (int i = 0; i < tlm1; i++) {
       tb->de[i] = tb->e[i+1] - tb->e[i];
       tb->df[i] = tb->f[i+1] - tb->f[i];
     }
   }
 
   // cubic spline tables
   // N-1 evenly spaced bins in rsq from inner to cut
   // rsq,e,f = value at lower edge of bin
   // e2,f2 = spline coefficient for each bin
   // rsq,e,f,e2,f2 are N in length so have N-1 spline bins
   // f is converted to f/r after e is splined
   // e,f can match read-in values, else compute via spline interp
 
   if (tabstyle == SPLINE) {
     memory->create(tb->rsq,tablength,"pair:rsq");
     memory->create(tb->e,tablength,"pair:e");
     memory->create(tb->f,tablength,"pair:f");
     memory->create(tb->e2,tablength,"pair:e2");
     memory->create(tb->f2,tablength,"pair:f2");
 
     tb->deltasq6 = tb->delta*tb->delta / 6.0;
 
     double r,rsq;
     for (int i = 0; i < tablength; i++) {
       rsq = tb->innersq + i*tb->delta;
       r = sqrt(rsq);
       tb->rsq[i] = rsq;
       if (tb->match) {
         tb->e[i] = tb->efile[i];
         tb->f[i] = tb->ffile[i]/r;
       } else {
         tb->e[i] = splint(tb->rfile,tb->efile,tb->e2file,tb->ninput,r);
         tb->f[i] = splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,r);
       }
     }
 
     // ep0,epn = dh/dg at inner and at cut
     // h(r) = e(r) and g(r) = r^2
     // dh/dg = (de/dr) / 2r = -f/2r
 
     double ep0 = - tb->f[0] / (2.0 * sqrt(tb->innersq));
     double epn = - tb->f[tlm1] / (2.0 * tb->cut);
     spline(tb->rsq,tb->e,tablength,ep0,epn,tb->e2);
 
     // fp0,fpn = dh/dg at inner and at cut
     // h(r) = f(r)/r and g(r) = r^2
     // dh/dg = (1/r df/dr - f/r^2) / 2r
     // dh/dg in secant approx = (f(r2)/r2 - f(r1)/r1) / (g(r2) - g(r1))
 
     double fp0,fpn;
     double secant_factor = 0.1;
     if (tb->fpflag) fp0 = (tb->fplo/sqrt(tb->innersq) - tb->f[0]/tb->innersq) /
       (2.0 * sqrt(tb->innersq));
     else {
       double rsq1 = tb->innersq;
       double rsq2 = rsq1 + secant_factor*tb->delta;
       fp0 = (splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,sqrt(rsq2)) /
              sqrt(rsq2) - tb->f[0] / sqrt(rsq1)) / (secant_factor*tb->delta);
     }
 
     if (tb->fpflag && tb->cut == tb->rfile[tb->ninput-1]) fpn =
       (tb->fphi/tb->cut - tb->f[tlm1]/(tb->cut*tb->cut)) / (2.0 * tb->cut);
     else {
       double rsq2 = tb->cut * tb->cut;
       double rsq1 = rsq2 - secant_factor*tb->delta;
       fpn = (tb->f[tlm1] / sqrt(rsq2) -
              splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,sqrt(rsq1)) /
              sqrt(rsq1)) / (secant_factor*tb->delta);
     }
 
     for (int i = 0; i < tablength; i++) tb->f[i] /= sqrt(tb->rsq[i]);
     spline(tb->rsq,tb->f,tablength,fp0,fpn,tb->f2);
   }
 
   // bitmapped linear tables
   // 2^N bins from inner to cut, spaced in bitmapped manner
   // f is converted to f/r when stored in f[i]
   // e,f can match read-in values, else compute via spline interp
 
   if (tabstyle == BITMAP) {
     double r;
     union_int_float_t rsq_lookup;
     int masklo,maskhi;
 
     // linear lookup tables of length ntable = 2^n
     // stored value = value at lower edge of bin
 
     init_bitmap(inner,tb->cut,tablength,masklo,maskhi,tb->nmask,tb->nshiftbits);
     int ntable = 1 << tablength;
     int ntablem1 = ntable - 1;
 
     memory->create(tb->rsq,ntable,"pair:rsq");
     memory->create(tb->e,ntable,"pair:e");
     memory->create(tb->f,ntable,"pair:f");
     memory->create(tb->de,ntable,"pair:de");
     memory->create(tb->df,ntable,"pair:df");
     memory->create(tb->drsq,ntable,"pair:drsq");
 
     union_int_float_t minrsq_lookup;
     minrsq_lookup.i = 0 << tb->nshiftbits;
     minrsq_lookup.i |= maskhi;
 
     for (int i = 0; i < ntable; i++) {
       rsq_lookup.i = i << tb->nshiftbits;
       rsq_lookup.i |= masklo;
       if (rsq_lookup.f < tb->innersq) {
         rsq_lookup.i = i << tb->nshiftbits;
         rsq_lookup.i |= maskhi;
       }
       r = sqrtf(rsq_lookup.f);
       tb->rsq[i] = rsq_lookup.f;
       if (tb->match) {
         tb->e[i] = tb->efile[i];
         tb->f[i] = tb->ffile[i]/r;
       } else {
         tb->e[i] = splint(tb->rfile,tb->efile,tb->e2file,tb->ninput,r);
         tb->f[i] = splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,r)/r;
       }
       minrsq_lookup.f = MIN(minrsq_lookup.f,rsq_lookup.f);
     }
 
     tb->innersq = minrsq_lookup.f;
 
     for (int i = 0; i < ntablem1; i++) {
       tb->de[i] = tb->e[i+1] - tb->e[i];
       tb->df[i] = tb->f[i+1] - tb->f[i];
       tb->drsq[i] = 1.0/(tb->rsq[i+1] - tb->rsq[i]);
     }
 
     // get the delta values for the last table entries
     // tables are connected periodically between 0 and ntablem1
 
     tb->de[ntablem1] = tb->e[0] - tb->e[ntablem1];
     tb->df[ntablem1] = tb->f[0] - tb->f[ntablem1];
     tb->drsq[ntablem1] = 1.0/(tb->rsq[0] - tb->rsq[ntablem1]);
 
     // get the correct delta values at itablemax
     // smallest r is in bin itablemin
     // largest r is in bin itablemax, which is itablemin-1,
     //   or ntablem1 if itablemin=0
 
     // deltas at itablemax only needed if corresponding rsq < cut*cut
     // if so, compute deltas between rsq and cut*cut
     //   if tb->match, data at cut*cut is unavailable, so we'll take
     //   deltas at itablemax-1 as a good approximation
 
     double e_tmp,f_tmp;
     int itablemin = minrsq_lookup.i & tb->nmask;
     itablemin >>= tb->nshiftbits;
     int itablemax = itablemin - 1;
     if (itablemin == 0) itablemax = ntablem1;
     int itablemaxm1 = itablemax - 1;
     if (itablemax == 0) itablemaxm1 = ntablem1;
     rsq_lookup.i = itablemax << tb->nshiftbits;
     rsq_lookup.i |= maskhi;
     if (rsq_lookup.f < tb->cut*tb->cut) {
       if (tb->match) {
         tb->de[itablemax] = tb->de[itablemaxm1];
         tb->df[itablemax] = tb->df[itablemaxm1];
         tb->drsq[itablemax] = tb->drsq[itablemaxm1];
       } else {
             rsq_lookup.f = tb->cut*tb->cut;
         r = sqrtf(rsq_lookup.f);
         e_tmp = splint(tb->rfile,tb->efile,tb->e2file,tb->ninput,r);
         f_tmp = splint(tb->rfile,tb->ffile,tb->f2file,tb->ninput,r)/r;
         tb->de[itablemax] = e_tmp - tb->e[itablemax];
         tb->df[itablemax] = f_tmp - tb->f[itablemax];
         tb->drsq[itablemax] = 1.0/(rsq_lookup.f - tb->rsq[itablemax]);
       }
     }
   }
 }
 
 /* ----------------------------------------------------------------------
    set all ptrs in a table to NULL, so can be freed safely
 ------------------------------------------------------------------------- */
 
 void PairTable::null_table(Table *tb)
 {
   tb->rfile = tb->efile = tb->ffile = NULL;
   tb->e2file = tb->f2file = NULL;
   tb->rsq = tb->drsq = tb->e = tb->de = NULL;
   tb->f = tb->df = tb->e2 = tb->f2 = NULL;
 }
 
 /* ----------------------------------------------------------------------
    free all arrays in a table
 ------------------------------------------------------------------------- */
 
 void PairTable::free_table(Table *tb)
 {
   memory->destroy(tb->rfile);
   memory->destroy(tb->efile);
   memory->destroy(tb->ffile);
   memory->destroy(tb->e2file);
   memory->destroy(tb->f2file);
 
   memory->destroy(tb->rsq);
   memory->destroy(tb->drsq);
   memory->destroy(tb->e);
   memory->destroy(tb->de);
   memory->destroy(tb->f);
   memory->destroy(tb->df);
   memory->destroy(tb->e2);
   memory->destroy(tb->f2);
 }
 
 /* ----------------------------------------------------------------------
    spline and splint routines modified from Numerical Recipes
 ------------------------------------------------------------------------- */
 
 void PairTable::spline(double *x, double *y, int n,
                        double yp1, double ypn, double *y2)
 {
   int i,k;
   double p,qn,sig,un;
   double *u = new double[n];
 
   if (yp1 > 0.99e30) y2[0] = u[0] = 0.0;
   else {
     y2[0] = -0.5;
     u[0] = (3.0/(x[1]-x[0])) * ((y[1]-y[0]) / (x[1]-x[0]) - yp1);
   }
   for (i = 1; i < n-1; i++) {
     sig = (x[i]-x[i-1]) / (x[i+1]-x[i-1]);
     p = sig*y2[i-1] + 2.0;
     y2[i] = (sig-1.0) / p;
     u[i] = (y[i+1]-y[i]) / (x[i+1]-x[i]) - (y[i]-y[i-1]) / (x[i]-x[i-1]);
     u[i] = (6.0*u[i] / (x[i+1]-x[i-1]) - sig*u[i-1]) / p;
   }
   if (ypn > 0.99e30) qn = un = 0.0;
   else {
     qn = 0.5;
     un = (3.0/(x[n-1]-x[n-2])) * (ypn - (y[n-1]-y[n-2]) / (x[n-1]-x[n-2]));
   }
   y2[n-1] = (un-qn*u[n-2]) / (qn*y2[n-2] + 1.0);
   for (k = n-2; k >= 0; k--) y2[k] = y2[k]*y2[k+1] + u[k];
 
   delete [] u;
 }
 
 /* ---------------------------------------------------------------------- */
 
 double PairTable::splint(double *xa, double *ya, double *y2a, int n, double x)
 {
   int klo,khi,k;
   double h,b,a,y;
 
   klo = 0;
   khi = n-1;
   while (khi-klo > 1) {
     k = (khi+klo) >> 1;
     if (xa[k] > x) khi = k;
     else klo = k;
   }
   h = xa[khi]-xa[klo];
   a = (xa[khi]-x) / h;
   b = (x-xa[klo]) / h;
   y = a*ya[klo] + b*ya[khi] +
     ((a*a*a-a)*y2a[klo] + (b*b*b-b)*y2a[khi]) * (h*h)/6.0;
   return y;
 }
 
 /* ----------------------------------------------------------------------
    proc 0 writes to restart file
 ------------------------------------------------------------------------- */
 
 void PairTable::write_restart(FILE *fp)
 {
   write_restart_settings(fp);
 }
 
 /* ----------------------------------------------------------------------
    proc 0 reads from restart file, bcasts
 ------------------------------------------------------------------------- */
 
 void PairTable::read_restart(FILE *fp)
 {
   read_restart_settings(fp);
   allocate();
 }
 
 /* ----------------------------------------------------------------------
    proc 0 writes to restart file
 ------------------------------------------------------------------------- */
 
 void PairTable::write_restart_settings(FILE *fp)
 {
   fwrite(&tabstyle,sizeof(int),1,fp);
   fwrite(&tablength,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
    proc 0 reads from restart file, bcasts
 ------------------------------------------------------------------------- */
 
 void PairTable::read_restart_settings(FILE *fp)
 {
   if (comm->me == 0) {
     fread(&tabstyle,sizeof(int),1,fp);
     fread(&tablength,sizeof(int),1,fp);
   }
   MPI_Bcast(&tabstyle,1,MPI_INT,0,world);
   MPI_Bcast(&tablength,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */
 
 double PairTable::single(int i, int j, int itype, int jtype, double rsq,
                          double factor_coul, double factor_lj,
                          double &fforce)
 {
   int itable;
   double fraction,value,a,b,phi;
   int tlm1 = tablength - 1;
 
   Table *tb = &tables[tabindex[itype][jtype]];
   if (rsq < tb->innersq) error->one(FLERR,"Pair distance < table inner cutoff");
 
   if (tabstyle == LOOKUP) {
     itable = static_cast<int> ((rsq-tb->innersq) * tb->invdelta);
     if (itable >= tlm1) error->one(FLERR,"Pair distance > table outer cutoff");
     fforce = factor_lj * tb->f[itable];
   } else if (tabstyle == LINEAR) {
     itable = static_cast<int> ((rsq-tb->innersq) * tb->invdelta);
     if (itable >= tlm1) error->one(FLERR,"Pair distance > table outer cutoff");
     fraction = (rsq - tb->rsq[itable]) * tb->invdelta;
     value = tb->f[itable] + fraction*tb->df[itable];
     fforce = factor_lj * value;
   } else if (tabstyle == SPLINE) {
     itable = static_cast<int> ((rsq-tb->innersq) * tb->invdelta);
     if (itable >= tlm1) error->one(FLERR,"Pair distance > table outer cutoff");
     b = (rsq - tb->rsq[itable]) * tb->invdelta;
     a = 1.0 - b;
     value = a * tb->f[itable] + b * tb->f[itable+1] +
       ((a*a*a-a)*tb->f2[itable] + (b*b*b-b)*tb->f2[itable+1]) *
       tb->deltasq6;
     fforce = factor_lj * value;
   } else {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     itable = rsq_lookup.i & tb->nmask;
     itable >>= tb->nshiftbits;
     fraction = (rsq_lookup.f - tb->rsq[itable]) * tb->drsq[itable];
     value = tb->f[itable] + fraction*tb->df[itable];
     fforce = factor_lj * value;
   }
 
   if (tabstyle == LOOKUP)
     phi = tb->e[itable];
   else if (tabstyle == LINEAR || tabstyle == BITMAP)
     phi = tb->e[itable] + fraction*tb->de[itable];
   else
     phi = a * tb->e[itable] + b * tb->e[itable+1] +
       ((a*a*a-a)*tb->e2[itable] + (b*b*b-b)*tb->e2[itable+1]) * tb->deltasq6;
   return factor_lj*phi;
 }
 
 /* ----------------------------------------------------------------------
    return the Coulomb cutoff for tabled potentials
    called by KSpace solvers which require that all pairwise cutoffs be the same
    loop over all tables not just those indexed by tabindex[i][j] since
      no way to know which tables are active since pair::init() not yet called
 ------------------------------------------------------------------------- */
 
 void *PairTable::extract(const char *str, int &dim)
 {
   if (strcmp(str,"cut_coul") != 0) return NULL;
   if (ntables == 0) error->all(FLERR,"All pair coeffs are not set");
 
   double cut_coul = tables[0].cut;
   for (int m = 1; m < ntables; m++)
     if (tables[m].cut != cut_coul)
       error->all(FLERR,
                  "Pair table cutoffs must all be equal to use with KSpace");
   dim = 0;
   return &tables[0].cut;
 }