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fairchem_uma_demo

Running on CPU Upgrade

zulissimeta commited on 8 days ago

Commit

e9cc0fb

1 Parent(s): 538131f

typo in filepath

Files changed (1) hide show

app.py CHANGED Viewed

@@ -690,7 +690,7 @@ def main():
                                     [
                                         str(
                                             Path(__file__).parent
-                                            / "./examples/pt111.traj"
                                         ),
                                         300,
                                         0.05,
@@ -716,7 +716,7 @@ def main():
                                     [
                                         str(
                                             Path(__file__).parent
-                                            / "./examples/cu111.traj"
                                         ),
                                         300,
                                         0.05,

                                     [
                                         str(
                                             Path(__file__).parent
+                                            / "./examples/pt111_slab.traj"
                                         ),
                                         300,
                                         0.05,
                                     [
                                         str(
                                             Path(__file__).parent
+                                            / "./examples/cu111_slab.traj"
                                         ),
                                         300,
                                         0.05,