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1 parent 679e150 commit 511bf37Copy full SHA for 511bf37
nff/tests/dynamics_test.py
@@ -24,7 +24,7 @@
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HBAR = 1
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OUT_FILE = "trj.csv"
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LOG_FILE = "trj.log"
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-ETHANOL_MODEL_PATH = "../../tutorials/sandbox_painn/best_model"
+ETHANOL_MODEL_PATH = "../../tutorials/models/cco_1/best_model" # Simon's SchNet model
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METHOD_DIC = {"nosehoover": NoseHoover, "nosehooverchain": NoseHooverChain}
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