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Adding multiphase support, new stress

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This commit is contained in:
jtclemm
2023-11-27 15:53:19 -07:00
parent f9b385061b
commit 1e26c6d0c5
12 changed files with 222 additions and 28 deletions
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12
src/RHEO/fix_rheo.cpp
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@ -279,6 +279,9 @@ void FixRHEO::setup(int /*vflag*/)
error->one(FLERR, "Fix rheo/viscosity does not fully cover all atoms");
if (!t_coverage_flag)
error->one(FLERR, "Fix rheo/thermal does not fully cover all atoms");
if (rhosum_flag)
compute_rhosum->compute_peratom();
}
/* ---------------------------------------------------------------------- */
@ -419,10 +422,11 @@ void FixRHEO::pre_force(int /*vflag*/)
status[i] &= OPTIONSMASK;
// Calculate surfaces, update status
if (surface_flag) compute_surface->compute_peratom();
if (shift_flag)
compute_vshift->correct_surfaces();
if (surface_flag) {
compute_surface->compute_peratom();
if (shift_flag)
compute_vshift->correct_surfaces();
}
}
/* ---------------------------------------------------------------------- */