diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp index 623fae3b6e..c85b4f3a28 100755 --- a/src/ASPHERE/fix_npt_asphere.cpp +++ b/src/ASPHERE/fix_npt_asphere.cpp @@ -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 @@ -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 - box_dilate(0); + remap(0); if (kspace_flag) force->kspace->setup(); }