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Multiphase support

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This commit is contained in:
jtclemm
2023-11-14 12:33:51 -07:00
parent 73a3ae7602
commit f9b385061b
18 changed files with 430 additions and 337 deletions
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6
src/RHEO/compute_rheo_surface.cpp
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@ -42,7 +42,7 @@ static constexpr double EPSILON = 1e-10;
/* ---------------------------------------------------------------------- */
ComputeRHEOSurface::ComputeRHEOSurface(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg), fix_rheo(nullptr), list(nullptr), compute_kernel(nullptr), compute_interface(nullptr),
Compute(lmp, narg, arg), fix_rheo(nullptr), list(nullptr), rho0(nullptr), compute_kernel(nullptr), compute_interface(nullptr),
B(nullptr), gradC(nullptr), nsurface(nullptr), divr(nullptr), rsurface(nullptr)
{
if (narg != 3) error->all(FLERR,"Illegal compute RHEO/SURFACE command");
@ -194,8 +194,8 @@ void ComputeRHEOSurface::compute_peratom()
} else if ((!fluidi) && fluidj) {
rhoi = compute_interface->correct_rho(i, j);
} else if ((!fluidi) && (!fluidj)) {
rhoi = rho0;
rhoj = rho0;
rhoi = rho0[itype];
rhoj = rho0[jtype];
}
}