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Rho sum compute

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This commit is contained in:
jtclemm
2023-04-20 16:17:04 -06:00
parent a4d971df52
commit de0e4bb170
7 changed files with 371 additions and 125 deletions
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6
src/RHEO/fix_rheo.cpp
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@ -141,7 +141,7 @@ FixRHEO::~FixRHEO()
void FixRHEO::post_constructor()
{
compute_kernel = dynamic_cast<ComputeRHEOKernel *>(modify->add_compute("rheo_kernel all RHEO/KERNEL"));
compute_kernel = dynamic_cast<ComputeRHEOKernel *>(modify->add_compute("rheo_kernel all RHEO/KERNEL {}", kernel_style));
compute_kernel->fix_rheo = this;
std::string cmd = "rheo_grad all RHEO/GRAD velocity rho viscosity";
@ -150,7 +150,7 @@ void FixRHEO::post_constructor()
compute_grad->fix_rheo = this;
if (rhosum_flag) {
compute_rhosum = dynamic_cast<ComputeRHEORhoSum *>(modify->add_compute("rheo_rhosum all RHEO/RHO/SUM"));
compute_rhosum = dynamic_cast<ComputeRHEORhoSum *>(modify->add_compute("rheo_rho_sum all RHEO/RHO/SUM"));
compute_rhosum->fix_rheo = this;
}
@ -364,6 +364,8 @@ void FixRHEO::initial_integrate(int /*vflag*/)
void FixRHEO::pre_force(int /*vflag*/)
{
compute_kernel->compute_coordination(); // Needed for rho sum
if (rhosum_flag)
compute_rhosum->compute_peratom();