dead code removal
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@ -92,7 +92,6 @@ void PairBrownian::compute(int eflag, int vflag)
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double prethermostat;
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double xl[3], a_sq, a_sh, a_pu, Fbmag;
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double p1[3], p2[3], p3[3];
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int overlaps = 0;
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// This section of code adjusts R0/RT0/RS0 if necessary due to changes
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// in the volume fraction as a result of fix deform or moving walls
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@ -187,10 +186,6 @@ void PairBrownian::compute(int eflag, int vflag)
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h_sep = r - 2.0 * radi;
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// check for overlaps
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if (h_sep < 0.0) overlaps++;
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// if less than minimum gap, use minimum gap instead
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if (r < cut_inner[itype][jtype]) h_sep = cut_inner[itype][jtype] - 2.0 * radi;
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@ -336,9 +331,6 @@ void PairBrownian::compute(int eflag, int vflag)
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}
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}
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int print_overlaps = 0;
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if (print_overlaps && overlaps) printf("Number of overlaps=%d\n", overlaps);
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if (vflag_fdotr) virial_fdotr_compute();
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}
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@ -72,7 +72,6 @@ void PairBrownianPoly::compute(int eflag, int vflag)
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int nlocal = atom->nlocal;
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double vxmu2f = force->vxmu2f;
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int overlaps = 0;
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double randr;
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double prethermostat;
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double xl[3],a_sq,a_sh,a_pu,Fbmag;
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@ -176,10 +175,6 @@ void PairBrownianPoly::compute(int eflag, int vflag)
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h_sep = r - radi-radj;
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// check for overlaps
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if (h_sep < 0.0) overlaps++;
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// if less than minimum gap, use minimum gap instead
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if (r < cut_inner[itype][jtype])
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@ -407,7 +407,6 @@ void FixSAEDVTK::invoke_vector(bigint ntimestep)
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// Finding the intersection of the reciprical space and Ewald sphere
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int NROW1 = 0;
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int NROW2 = 0;
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double dinv2 = 0.0;
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double r = 0.0;
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double K[3];
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@ -425,11 +424,9 @@ void FixSAEDVTK::invoke_vector(bigint ntimestep)
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fprintf(fp,"%g\n",vector_total[NROW1]/norm);
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fflush(fp);
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NROW1++;
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NROW2++;
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} else {
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fprintf(fp,"%d\n",-1);
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fflush(fp);
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NROW2++;
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}
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}
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}
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@ -449,17 +446,14 @@ void FixSAEDVTK::invoke_vector(bigint ntimestep)
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if ( (r > (R_Ewald - dR_Ewald) ) && (r < (R_Ewald + dR_Ewald) )) {
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fprintf(fp,"%g\n",vector_total[NROW1]/norm);
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fflush(fp);
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NROW2++;
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NROW1++;
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} else {
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fprintf(fp,"%d\n",-1);
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fflush(fp);
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NROW2++;
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}
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} else {
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fprintf(fp,"%d\n",-1);
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fflush(fp);
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NROW2++;
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}
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}
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}
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@ -31,7 +31,6 @@
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#include "update.h"
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#include <cmath>
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#include <cstring>
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using namespace LAMMPS_NS;
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@ -33,10 +33,8 @@
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#include "modify.h"
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#include "molecule.h"
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#include "neigh_list.h"
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#include "neigh_request.h"
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#include "neighbor.h"
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#include "pair.h"
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#include "universe.h"
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#include "update.h"
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#include <cmath>
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@ -1,7 +1,7 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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