git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3924 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-03-25 16:24:30 +00:00
parent 3a6ea84a72
commit ff4be99542
26 changed files with 211 additions and 213 deletions

View File

@ -191,9 +191,9 @@ void FixNPTSphere::initial_integrate(int vflag)
}
}
// remap simulation box and all owned atoms by 1/2 step
// remap simulation box by 1/2 step
remap(0);
remap();
// update x by full step for atoms in group
@ -259,10 +259,10 @@ void FixNPTSphere::initial_integrate(int vflag)
}
}
// remap simulation box and all owned atoms by 1/2 step
// remap simulation box by 1/2 step
// redo KSpace coeffs since volume has changed
remap(0);
remap();
if (kspace_flag) force->kspace->setup();
}