reshape/2

lab-cosmo · Mar 22, 2024 · bfe576b · bfe576b
1 parent ca08d36
commit bfe576b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ipi/engine/motion/dynamics.py b/ipi/engine/motion/dynamics.py
@@ -360,7 +360,7 @@ def pconstraints(self):
             pcom = p.sum(axis=1)
             dens = (pcom**2).sum()*0.5/Mnb # COM kinetic energy
             pcom /= Mnb
-            self.beads.p -= (m3*pcom).reshape(nb,-1)
+            self.beads.p -= (m3*pcom.reshape(nb,-1,3)).reshape(nb,-1)
 
             self.ensemble.eens += dens