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

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sjplimp
2008-04-17 00:06:14 +00:00
parent d6b5b2c5ea
commit 2573af1531
2 changed files with 4 additions and 6 deletions
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5
src/min_cg.cpp
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@ -276,10 +276,9 @@ int MinCG::iterate(int n)
{ {
int i,fail,ntimestep; int i,fail,ntimestep;
double beta,gg,dot[2],dotall[2]; double beta,gg,dot[2],dotall[2];
double *f;
f = atom->f[0]; double *f = atom->f[0];
for (int i = 0; i < ndof; i++) h[i] = g[i] = f[i]; for (i = 0; i < ndof; i++) h[i] = g[i] = f[i];
dot[0] = 0.0; dot[0] = 0.0;
for (i = 0; i < ndof; i++) dot[0] += f[i]*f[i]; for (i = 0; i < ndof; i++) dot[0] += f[i]*f[i];

5
src/min_sd.cpp
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@ -37,10 +37,9 @@ int MinSD::iterate(int n)
{ {
int i,fail,ntimestep; int i,fail,ntimestep;
double dot,dotall; double dot,dotall;
double *f;
f = atom->f[0]; double *f = atom->f[0];
for (int i = 0; i < ndof; i++) h[i] = f[i]; for (i = 0; i < ndof; i++) h[i] = f[i];
neval = 0; neval = 0;