Commit 2573af15 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent d6b5b2c5

src/min_cg.cpp

+2 −3
Original line number Diff line number Diff line
@@ -276,10 +276,9 @@ int MinCG::iterate(int n) 
{

  int i,fail,ntimestep;

  double beta,gg,dot[2],dotall[2];

  double *f;



  f = atom->f[0];

  for (int i = 0; i < ndof; i++) h[i] = g[i] = f[i];

  double *f = atom->f[0];

  for (i = 0; i < ndof; i++) h[i] = g[i] = f[i];



  dot[0] = 0.0;

  for (i = 0; i < ndof; i++) dot[0] += f[i]*f[i];

src/min_sd.cpp

+2 −3
Original line number Diff line number Diff line
@@ -37,10 +37,9 @@ int MinSD::iterate(int n) 
{

  int i,fail,ntimestep;

  double dot,dotall;

  double *f;



  f = atom->f[0];

  for (int i = 0; i < ndof; i++) h[i] = f[i];

  double *f = atom->f[0];

  for (i = 0; i < ndof; i++) h[i] = f[i];



  neval = 0;

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