Update qeq.py

deepmodeling · Oct 22, 2023 · 6134176 · 6134176
1 parent 4aa5b77
commit 6134176
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/dmff/admp/qeq.py b/dmff/admp/qeq.py
@@ -69,7 +69,7 @@ def E_constP(q, lagmt, const_list, const_vals):
 @jit_condition()
 def mask_to_zero(v, mask):
     return jnp.piecewise(
-        v, [mask < 1e-5, mask >= 1e-5], [lambda x: CONST_0, lambda x: v]
+        v, [mask < 1e-4, mask >= 1e-4], [lambda x: CONST_0, lambda x: v]
     )