default values

MartinAchondo · Jun 17, 2024 · 9af4875 · 9af4875
1 parent f014e91
commit 9af4875
Show file tree

Hide file tree

Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/xppbe/Mesh/Mesh.py b/xppbe/Mesh/Mesh.py
@@ -99,10 +99,10 @@ def __init__(self, molecule, mesh_properties, simulation='Main', path='', save_p
 
         self.mesh_properties = {
             'density_mol': 10,
-            'density_border': 4,
+            'density_border': 0.5,
             'percentage_surf_mesh': 1.0,
-            'vol_max_interior': 0.04,
-            'vol_max_exterior': 0.1,
+            'vol_max_interior': 0.06,
+            'vol_max_exterior': 0.6,
             'percentage_vol_mesh': 1.0,
             'dx_experimental': 1.0,
             'N_pq': 1,

diff --git a/xppbe/Simulation.yaml b/xppbe/Simulation.yaml
@@ -19,12 +19,12 @@ mesh_properties:
     vol_max_interior: 0.06
     vol_max_exterior: 0.6
     density_mol: 10
-    density_border: 3
+    density_border: 0.5
     dx_experimental: 0.8
     N_pq: 1
     G_sigma: 0.04
     mesh_generator: msms
-    dR_exterior: 3
+    dR_exterior: 4
     center_pqr: false
 
 # Phi ENS method