Prototyping oxidation

2024-03-28 11:31:21 -06:00
parent b3de75da97
commit 010a4c076b
14 changed files with 1137 additions and 3 deletions
--- a/src/RHEO/compute_rheo_interface.cpp
+++ b/src/RHEO/compute_rheo_interface.cpp
@ -329,7 +329,8 @@ double ComputeRHEOInterface::correct_rho(int i, int j)
 {
  // i is wall, j is fluid
  //In future may depend on atom type j's pressure equation
-  return atom->rho[i];
+  int itype = atom->type[i];
+  return MAX(rho0[itype], atom->rho[i]);
 }

 /* ---------------------------------------------------------------------- */