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debug-flag fix #97

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merged 2 commits into from
May 23, 2021
Merged

debug-flag fix #97

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9e018be
debug-flag fix
mshuaibii May 23, 2021
af55a58
move debug test to cons test
mshuaibii May 23, 2021
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2 changes: 1 addition & 1 deletion amptorch/tests/consistency_test.py
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Expand Up @@ -133,7 +133,7 @@ def test_energy_force_consistency():
"scaling": {"type": "normalize", "range": (-1, 1)},
},
"cmd": {
"debug": False,
"debug": True,
"run_dir": "./",
"seed": 1,
"identifier": "test",
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2 changes: 1 addition & 1 deletion amptorch/trainer.py
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Expand Up @@ -118,14 +118,14 @@ def load_dataset(self):
self.target_scaler = self.train_dataset.target_scaler
self.input_dim = self.train_dataset.input_dim
self.val_split = self.config["dataset"].get("val_split", 0)
self.config["dataset"]["descriptor"] = descriptor_setup
if not self.debug:
normalizers = {
"target": self.target_scaler,
"feature": self.feature_scaler,
}
torch.save(normalizers, os.path.join(self.cp_dir, "normalizers.pt"))
# clean/organize config
self.config["dataset"]["descriptor"] = descriptor_setup
self.config["dataset"]["fp_length"] = self.input_dim
torch.save(self.config, os.path.join(self.cp_dir, "config.pt"))
print("Loading dataset: {} images".format(len(self.train_dataset)))
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