test energy force example (#34)

f6b193bd · Gao, Xiang · GitHub · 45f25ec3 · f6b193bd · f6b193bd
Unverified Commit f6b193bd authored Jul 30, 2018 by Gao, Xiang Committed by GitHub Jul 30, 2018
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codefresh.yml codefresh.yml +1 -0

tests/test_ignite.py tests/test_ignite.py +1 -1

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--- a/codefresh.yml
+++ b/codefresh.yml
@@ -25,3 +25,4 @@ steps:
    commands:
      - python examples/nnp_training.py  ./dataset/ani_gdb_s01.h5
      - python examples/training-benchmark.py ./dataset/ani_gdb_s01.h5
+      - python examples/energy_force.py
--- a/tests/test_ignite.py
+++ b/tests/test_ignite.py
@@ -11,7 +11,7 @@ if sys.version_info.major >= 3:

    path = os.path.dirname(os.path.realpath(__file__))
    path = os.path.join(path, '../dataset/ani_gdb_s01.h5')
-    chunksize = 16
+    chunksize = 8
    threshold = 1e-5
    dtype = torch.float32
    device = torch.device('cpu')