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Refreshing no shift flag for solid particles

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This commit is contained in:
jtclemm
2024-01-23 14:58:31 -07:00
parent dd7e95cd12
commit 70ea1dd352
2 changed files with 7 additions and 2 deletions
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6
src/RHEO/fix_rheo.cpp
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@ -422,6 +422,12 @@ void FixRHEO::pre_force(int /*vflag*/)
if (mask[i] & groupbit) if (mask[i] & groupbit)
status[i] &= OPTIONSMASK; status[i] &= OPTIONSMASK;
// Reinstate temporary options
for (int i = 0; i < nall; i++)
if (mask[i] & groupbit)
if (status[i] & STATUS_SOLID)
status[i] |= STATUS_NO_SHIFT;
// Calculate surfaces, update status // Calculate surfaces, update status
if (surface_flag) { if (surface_flag) {
compute_surface->compute_peratom(); compute_surface->compute_peratom();

3
src/RHEO/fix_rheo_thermal.cpp
View File

@ -374,7 +374,6 @@ void FixRHEOThermal::post_integrate()
} }
} }
} }
} }
int n_melt_all, n_freeze_all; int n_melt_all, n_freeze_all;
@ -558,7 +557,7 @@ void FixRHEOThermal::create_bonds()
for (jj = 0; jj < jnum; jj++) { for (jj = 0; jj < jnum; jj++) {
j = jlist[jj]; j = jlist[jj];
j &= SPECIALMASK; j &= NEIGHMASK;
if (!(status[j] & STATUS_SOLID)) continue; if (!(status[j] & STATUS_SOLID)) continue;
if (!(status[i] & STATUS_FREEZING) && !(status[j] & STATUS_FREEZING)) continue; if (!(status[i] & STATUS_FREEZING) && !(status[j] & STATUS_FREEZING)) continue;