diff --git a/src/COLVARS/colvarproxy_lammps.cpp b/src/COLVARS/colvarproxy_lammps.cpp index dc989ad6de..265dc34f43 100644 --- a/src/COLVARS/colvarproxy_lammps.cpp +++ b/src/COLVARS/colvarproxy_lammps.cpp @@ -204,7 +204,7 @@ cvm::rvector colvarproxy_lammps::position_distance(cvm::atom_pos const &pos1, double xtmp = pos2.x - pos1.x; double ytmp = pos2.y - pos1.y; double ztmp = pos2.z - pos1.z; - _lmp->domain->minimum_image(xtmp,ytmp,ztmp); + _lmp->domain->minimum_image_big(xtmp,ytmp,ztmp); return {xtmp, ytmp, ztmp}; } diff --git a/src/PHONON/fix_phonon.cpp b/src/PHONON/fix_phonon.cpp index 786931a549..477898a305 100644 --- a/src/PHONON/fix_phonon.cpp +++ b/src/PHONON/fix_phonon.cpp @@ -400,7 +400,7 @@ void FixPhonon::end_of_step() ndim = sysdim; for (i = 1; i < nucell; ++i) { for (idim = 0; idim < sysdim; ++idim) dist2orig[idim] = Rnow[idx][ndim++] - Rnow[idx][idim]; - domain->minimum_image(dist2orig); + domain->minimum_image_big(dist2orig); for (idim = 0; idim < sysdim; ++idim) basis[i][idim] += dist2orig[idim]; } } diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp index dc5f220a87..313bd3b59a 100644 --- a/src/RIGID/fix_ehex.cpp +++ b/src/RIGID/fix_ehex.cpp @@ -434,7 +434,7 @@ bool FixEHEX::check_cluster(tagint *shake_atom, int n, Region *region) // take into account pbc - domain->minimum_image(xtemp); + domain->minimum_image_big(xtemp); for (int k = 0; k < 3; k++) xcom[k] += mi * (x[lid[0]][k] + xtemp[k]); }