attempting to resolve issue cmelab#126

StephMcCallum · Aug 29, 2024 · d48384a · d48384a
1 parent c1c0ecd
commit d48384a
Showing 1 changed file with 15 additions and 5 deletions.
diff --git a/flowermd/base/simulation.py b/flowermd/base/simulation.py
@@ -739,14 +739,24 @@ def run_update_volume(
             Lz=final_box_lengths[2],
         )
         resize_trigger = hoomd.trigger.Periodic(period)
-        box_ramp = hoomd.variant.Ramp(
-            A=0, B=1, t_start=self.timestep, t_ramp=int(n_steps)
+        #box_ramp = hoomd.variant.Ramp(
+        #    A=0, B=1, t_start=self.timestep, t_ramp=int(n_steps)
+        #)
+        #initial_box = self.state.box
+
+        #changing to inverse ramp based on Hoomd test file
+        inverse_box_ramp = hoomd.variant.box.InverseVolumeRamp(
+            initial_box=self.state.box,
+            final_volume=?? ,
+            t_start=self.timestep,
+            t_ramp=int(n_steps)
         )
-        initial_box = self.state.box
 
+        #removing box1 and box2 parameters
         box_resizer = hoomd.update.BoxResize(
-            box1=initial_box,
-            box2=final_box,
+            #box1=initial_box,
+            #box2=final_box,
+            box=inverse_box_ramp
             variant=box_ramp,
             trigger=resize_trigger,
         )