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More rheo pressure EOS, allow variable cs

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This commit is contained in:
jtclemm
2024-11-01 17:04:32 -06:00
parent f483a90d8a
commit c1ac0cea1d
7 changed files with 103 additions and 19 deletions
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9
src/RHEO/compute_rheo_interface.cpp
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@ -97,6 +97,9 @@ void ComputeRHEOInterface::init()
auto fixes = modify->get_fix_by_style("rheo/pressure");
fix_pressure = dynamic_cast<FixRHEOPressure *>(fixes[0]);
if (!fix_pressure->invertable_pressure)
error->all(FLERR, "RHEO interface reconstruction incompatible with pressure equation of state");
neighbor->add_request(this, NeighConst::REQ_DEFAULT);
}
@ -178,7 +181,7 @@ void ComputeRHEOInterface::compute_peratom()
dot = 0;
for (a = 0; a < 3; a++) dot += (-fp_store[j][a] + fp_store[i][a]) * dx[a];
rho[i] += w * (fix_pressure->calc_pressure(rho[j], jtype) - rho[j] * dot);
rho[i] += w * (fix_pressure->calc_pressure(rho[j], j) - rho[j] * dot);
normwf[i] += w;
}
}
@ -192,7 +195,7 @@ void ComputeRHEOInterface::compute_peratom()
dot = 0;
for (a = 0; a < 3; a++) dot += (-fp_store[i][a] + fp_store[j][a]) * dx[a];
rho[j] += w * (fix_pressure->calc_pressure(rho[i], itype) + rho[i] * dot);
rho[j] += w * (fix_pressure->calc_pressure(rho[i], i) + rho[i] * dot);
normwf[j] += w;
}
}
@ -210,7 +213,7 @@ void ComputeRHEOInterface::compute_peratom()
if (status[i] & PHASECHECK) {
if (normwf[i] != 0.0) {
// Stores rho for solid particles 1+Pw in Adami Adams 2012
rho[i] = MAX(EPSILON, fix_pressure->calc_rho(rho[i] / normwf[i], type[i]));
rho[i] = MAX(EPSILON, fix_pressure->calc_rho(rho[i] / normwf[i], i));
} else {
rho[i] = rho0[itype];
}