add liquid test

ICAMS · Oct 26, 2020 · d2541bc · d2541bc
1 parent c780cfd
commit d2541bc
Showing 1 changed file with 14 additions and 0 deletions.
diff --git a/tests/test_liquid_avg.py b/tests/test_liquid_avg.py
@@ -0,0 +1,14 @@
+import pytest
+from pytint.input import read_yamlfile
+import pytint.lattice as pl
+from pytint.liquid import Liquid
+import os
+import numpy as np
+
+def test_liquid_averaging():
+    options = read_yamlfile("tests/input.yaml")
+    lqd = Liquid(t=1000, p=0, l="fcc", apc=4,
+                    alat=4.05, c=0.0, options=options, simfolder=os.getcwd(),
+                    thigh=1500)
+    lqd.write_average_script()
+    assert os.path.exists("traj.dat") == True