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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@767 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-08-03 19:40:00 +00:00
parent b6cdcaf49f
commit e02d543049
1 changed files with 4 additions and 4 deletions
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8
src/ASPHERE/fix_npt_asphere.cpp
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@ -108,9 +108,9 @@ void FixNPTASphere::initial_integrate()
} }
} }
// rescale simulation box and all owned atoms by 1/2 step // remap simulation box and all owned atoms by 1/2 step
box_dilate(0); remap(0);
// x update by full step only for atoms in NPT group // x update by full step only for atoms in NPT group
@ -137,10 +137,10 @@ void FixNPTASphere::initial_integrate()
} }
} }
// rescale simulation box and all owned atoms by 1/2 step // remap simulation box and all owned atoms by 1/2 step
// redo KSpace coeffs since volume has changed // redo KSpace coeffs since volume has changed
box_dilate(0); remap(0);
if (kspace_flag) force->kspace->setup(); if (kspace_flag) force->kspace->setup();
} }