pass the random state to lattice generator

MaterSim · Aug 17, 2024 · 79513d5 · 79513d5
1 parent 6a1cd1a
commit 79513d5
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/pyxtal/db.py b/pyxtal/db.py
@@ -1121,7 +1121,7 @@ def update_row_topology(self, StructureType="Auto", overwrite=True, prefix=None)
         try:
             import juliacall
         except:
-            print("Cannot load JuliaCall, no support on topology parser")
+            raise RuntimeError("Cannot load JuliaCall, Plz enable it before running")
 
         def parse_topology(topology_info):
             """

diff --git a/pyxtal/lattice.py b/pyxtal/lattice.py
@@ -574,13 +574,13 @@ def mutate(self, degree=0.10, frozen=False):
 
     def generate_para(self):
         if self.dim == 3:
-            return generate_cellpara(self.ltype, self.volume, **self.kwargs)
+            return generate_cellpara(self.ltype, self.volume, random_state=self.random_state, **self.kwargs)
         elif self.dim == 2:
-            return generate_cellpara_2D(self.ltype, self.volume, **self.kwargs)
+            return generate_cellpara_2D(self.ltype, self.volume, random_state=self.random_state, **self.kwargs)
         elif self.dim == 1:
-            return generate_cellpara_1D(self.ltype, self.volume, **self.kwargs)
+            return generate_cellpara_1D(self.ltype, self.volume, random_state=self.random_state, **self.kwargs)
         elif self.dim == 0:
-            return generate_cellpara_0D(self.ltype, self.volume, **self.kwargs)
+            return generate_cellpara_0D(self.ltype, self.volume, random_state=self.random_state, **self.kwargs)
         return None
 
     def generate_matrix(self):