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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-05-08 15:59:33 +00:00
parent f4714d9c41
commit 07071dccd9
14 changed files with 45 additions and 40 deletions
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8
src/USER-EFF/atom_vec_electron.cpp
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@ -870,7 +870,7 @@ int AtomVecElectron::pack_data_hybrid(int i, double *buf)
void AtomVecElectron::write_data(FILE *fp, int n, double **buf)
{
for (int i = 0; i < n; i++)
fprintf(fp,"%d %d %g %d %g %g %g %g %d %d %d\n",
fprintf(fp,"%d %d %-1.16e %d %-1.16e %-1.16e %-1.16e %-1.16e %d %d %d\n",
(int) buf[i][0],(int) buf[i][1],buf[i][2],
(int) buf[i][3],buf[i][4],
buf[i][5],buf[i][6],buf[i][7],
@ -883,7 +883,7 @@ void AtomVecElectron::write_data(FILE *fp, int n, double **buf)
int AtomVecElectron::write_data_hybrid(FILE *fp, double *buf)
{
fprintf(fp," %g %d %g",buf[0],(int) buf[1],buf[2]);
fprintf(fp," %-1.16e %d %-1.16e",buf[0],(int) buf[1],buf[2]);
return 3;
}
@ -920,7 +920,7 @@ int AtomVecElectron::pack_vel_hybrid(int i, double *buf)
void AtomVecElectron::write_vel(FILE *fp, int n, double **buf)
{
for (int i = 0; i < n; i++)
fprintf(fp,"%d %g %g %g %g\n",
fprintf(fp,"%d %-1.16e %-1.16e %-1.16e %-1.16e\n",
(int) buf[i][0],buf[i][1],buf[i][2],buf[i][3],buf[i][4]);
}
@ -930,7 +930,7 @@ void AtomVecElectron::write_vel(FILE *fp, int n, double **buf)
int AtomVecElectron::write_vel_hybrid(FILE *fp, double *buf)
{
fprintf(fp," %g",buf[0]);
fprintf(fp," %-1.16e",buf[0]);
return 1;
}