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wetting energy in analysis

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This commit is contained in:
James McClure
2021-01-17 13:58:51 -05:00
parent 88cf09e326
commit 9ee14bce01
3 changed files with 19 additions and 8 deletions
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16
analysis/SubPhase.cpp
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@@ -187,6 +187,10 @@ void SubPhase::Basic(){
double phi = (nA-nB)/(nA+nB);
Phi(n) = phi;
}
if (Phi(n) != Phi(n)){
// check for NaN
Phi(n) = 0.0;
}
}
}
}
@@ -328,13 +332,19 @@ void SubPhase::Basic(){
local_wetting_weight += 0.5;
}
/* interaction due to this solid site*/
total_wetting_interaction += 0.5*local_wetting_interaction;
if (local_wetting_weight > 0.0)
count_wetting_interaction += local_wetting_weight;
if (local_wetting_interaction == local_wetting_interaction){
total_wetting_interaction += 0.5*local_wetting_interaction;
if (local_wetting_weight > 0.0)
count_wetting_interaction += local_wetting_weight;
}
else{
//printf("Check interaction at %i %i %i \n",i,j,k);
}
}
}
}
}
printf("wetting interaction = %f, count = %f\n",total_wetting_interaction,count_wetting_interaction);
total_wetting_interaction_global=Dm->Comm.sumReduce( total_wetting_interaction);
count_wetting_interaction_global=Dm->Comm.sumReduce( count_wetting_interaction);
/* normalize wetting interactions */

7
analysis/runAnalysis.cpp
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@@ -975,10 +975,11 @@ void runAnalysis::basic(int timestep, std::shared_ptr<Database> input_db, SubPha
PROFILE_START("Copy-Wait",1);
PROFILE_STOP("Copy-Wait",1);
PROFILE_START("Copy-State",1);
if (d_regular)
/*if (d_regular)
d_ScaLBL_Comm->RegularLayout(d_Map,Phi,Averages.Phi);
else
ScaLBL_CopyToHost(Averages.Phi.data(),Phi,N*sizeof(double));
else */
ScaLBL_CopyToHost(Averages.Phi.data(),Phi,N*sizeof(double));
// copy other variables
d_ScaLBL_Comm->RegularLayout(d_Map,Pressure,Averages.Pressure);
d_ScaLBL_Comm->RegularLayout(d_Map,&Den[0],Averages.Rho_n);

4
tests/lbpm_color_simulator.cpp
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@@ -35,8 +35,8 @@ int main(int argc, char **argv)
// Initialize MPI and error handlers
auto multiple = db->getWithDefault<bool>( "MPI_THREAD_MULTIPLE", true );
Utilities::startup( argc, argv, multiple );
Utilities::MPI::changeProfileLevel( 1 );
//Utilities::startup( argc, argv, multiple );
//Utilities::MPI::changeProfileLevel( 1 );
{ // Limit scope so variables that contain communicators will free before MPI_Finialize