Commit 86844fd2 by Francois Gygi

blank space

git-svn-id: http://qboxcode.org/svn/qb/trunk@1192 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 4ed6aa36
......@@ -458,13 +458,13 @@ void BOSampleStepper::step(int niter)
<< " </unit_cell_b_norm>" << endl;
cout << "<unit_cell_c_norm> " << atoms.cell().a_norm(2)
<< " </unit_cell_c_norm>" << endl;
cout << setprecision(3) << "<unit_cell_alpha> "
cout << setprecision(3) << "<unit_cell_alpha> "
<< atoms.cell().alpha() << " </unit_cell_alpha>" << endl;
cout << setprecision(3) << "<unit_cell_beta> "
cout << setprecision(3) << "<unit_cell_beta> "
<< atoms.cell().beta() << " </unit_cell_beta>" << endl;
cout << setprecision(3) << "<unit_cell_gamma> "
cout << setprecision(3) << "<unit_cell_gamma> "
<< atoms.cell().gamma() << " </unit_cell_gamma>" << endl;
cout << setprecision(3) << "<unit_cell_volume> "
cout << setprecision(3) << "<unit_cell_volume> "
<< atoms.cell().volume() << " </unit_cell_volume>" << endl;
// include the kinetic energy of the stepper
......@@ -1041,13 +1041,13 @@ void BOSampleStepper::step(int niter)
<< " </unit_cell_b_norm>" << endl;
cout << "<unit_cell_c_norm> " << atoms.cell().a_norm(2)
<< " </unit_cell_c_norm>" << endl;
cout << setprecision(3) << "<unit_cell_alpha> "
cout << setprecision(3) << "<unit_cell_alpha> "
<< atoms.cell().alpha() << " </unit_cell_alpha>" << endl;
cout << setprecision(3) << "<unit_cell_beta> "
cout << setprecision(3) << "<unit_cell_beta> "
<< atoms.cell().beta() << " </unit_cell_beta>" << endl;
cout << setprecision(3) << "<unit_cell_gamma> "
cout << setprecision(3) << "<unit_cell_gamma> "
<< atoms.cell().gamma() << " </unit_cell_gamma>" << endl;
cout << setprecision(3) << "<unit_cell_volume> "
cout << setprecision(3) << "<unit_cell_volume> "
<< atoms.cell().volume() << " </unit_cell_volume>" << endl;
if ( compute_stress )
{
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment