Merge pull request #4557 from jtkrogel/nx_deterministic_equil

Nexus: use data hashing in heuristic equilibration detection algorithm
QMCPACK · Apr 26, 2023 · 421d1b5 · 421d1b5
2 parents 59bcf0e + 7dc9a02
commit 421d1b5
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/nexus/lib/numerics.py b/nexus/lib/numerics.py
@@ -989,7 +989,10 @@ def simplestats(x,dim=None,full=False):
 #end def simplestats
 
 
-def equilibration_length(x,tail=.5,plot=False,xlim=None,bounces=2,random=True):
+def equilibration_length(x,tail=.5,plot=False,xlim=None,bounces=2,random=True,seed_from_hash=True):
+    if seed_from_hash:
+        np.random.seed(hash(tuple(x))%(2**32))
+    #end if
     bounces = max(1,bounces)
     eqlen = 0
     nx = len(x)