diff --git a/checkpoint b/checkpoint index d6c7373516..aa6f74047b 100644 --- a/checkpoint +++ b/checkpoint @@ -1 +1 @@ -model.ckpt-1.pt \ No newline at end of file +model.ckpt-1.pt diff --git a/examples/property/train/input_torch.json b/examples/property/train/input_torch.json index ed1afc3a7c..915edb46a1 100644 --- a/examples/property/train/input_torch.json +++ b/examples/property/train/input_torch.json @@ -179,7 +179,9 @@ "loss": { "type": "property", "loss_func": "smooth_mae", - "metric": ["mae"], + "metric": [ + "mae" + ], "beta": 1.00, "_comment": " that's all" }, diff --git a/source/tests/tf/input.json b/source/tests/tf/input.json index d976ef43ff..f39227f7ce 100644 --- a/source/tests/tf/input.json +++ b/source/tests/tf/input.json @@ -1,83 +1,83 @@ { - "_comment1": " model parameters", - "model": { - "type_map": [ - "O", - "H" - ], - "descriptor": { - "type": "se_e2_a", - "sel": [ - 46, - 92 - ], - "rcut_smth": 0.5, - "rcut": 6.0, - "_comment": "N2=2N1, N2=N1, and otherwise can be tested", - "neuron": [ - 4, - 8, - 17, - 17 - ], - "resnet_dt": false, - "axis_neuron": 16, - "seed": 1, - "_comment2": " that's all", - "exclude_types": [ - [ - 0, - 1 - ] - ] - }, - "fitting_net": { - "neuron": [ - 20, - 20, - 20 - ], - "resnet_dt": true, - "seed": 1, - "_comment3": " that's all" - }, - "_comment4": " that's all" + "_comment1": " model parameters", + "model": { + "type_map": [ + "O", + "H" + ], + "descriptor": { + "type": "se_e2_a", + "sel": [ + 46, + 92 + ], + "rcut_smth": 0.5, + "rcut": 6.0, + "_comment": "N2=2N1, N2=N1, and otherwise can be tested", + "neuron": [ + 4, + 8, + 17, + 17 + ], + "resnet_dt": false, + "axis_neuron": 16, + "seed": 1, + "_comment2": " that's all", + "exclude_types": [ + [ + 0, + 1 + ] + ] }, - "learning_rate": { - "type": "exp", - "decay_steps": 5000, - "start_lr": 0.001, - "stop_lr": 3.51e-08, - "_comment5": "that's all" + "fitting_net": { + "neuron": [ + 20, + 20, + 20 + ], + "resnet_dt": true, + "seed": 1, + "_comment3": " that's all" }, - "loss": { - "type": "ener", - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "_comment6": " that's all" + "_comment4": " that's all" + }, + "learning_rate": { + "type": "exp", + "decay_steps": 5000, + "start_lr": 0.001, + "stop_lr": 3.51e-08, + "_comment5": "that's all" + }, + "loss": { + "type": "ener", + "start_pref_e": 0.02, + "limit_pref_e": 1, + "start_pref_f": 1000, + "limit_pref_f": 1, + "start_pref_v": 0, + "limit_pref_v": 0, + "_comment6": " that's all" + }, + "training": { + "training_data": { + "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", + "batch_size": "auto", + "_comment7": "that's all" }, - "training": { - "training_data": { - "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", - "batch_size": "auto", - "_comment7": "that's all" - }, - "validation_data": { - "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", - "batch_size": 1, - "numb_btch": 3, - "_comment8": "that's all" - }, - "numb_steps": 1, - "seed": 10, - "disp_file": "lcurve.out", - "disp_freq": 1, - "save_freq": 1, - "_comment9": "that's all" + "validation_data": { + "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", + "batch_size": 1, + "numb_btch": 3, + "_comment8": "that's all" }, - "_comment10": "that's all" -} \ No newline at end of file + "numb_steps": 1, + "seed": 10, + "disp_file": "lcurve.out", + "disp_freq": 1, + "save_freq": 1, + "_comment9": "that's all" + }, + "_comment10": "that's all" +} diff --git a/source/tests/tf/input_se_a_ebd_v2.json b/source/tests/tf/input_se_a_ebd_v2.json index 0ff86b8cc0..530d996383 100644 --- a/source/tests/tf/input_se_a_ebd_v2.json +++ b/source/tests/tf/input_se_a_ebd_v2.json @@ -1,66 +1,66 @@ { - "_comment1": " model parameters", - "model": { - "type_map": [ - "O", - "H" - ], - "descriptor": { - "type": "se_a_ebd_v2", - "type_one_side": false - }, - "fitting_net": { - "neuron": [ - 20, - 20, - 20 - ], - "resnet_dt": true, - "seed": 1, - "_comment3": " that's all" - }, - "_comment4": " that's all", - "type_embedding": { - "neuron": [ - 1 - ] - } + "_comment1": " model parameters", + "model": { + "type_map": [ + "O", + "H" + ], + "descriptor": { + "type": "se_a_ebd_v2", + "type_one_side": false }, - "learning_rate": { - "type": "exp", - "decay_steps": 5000, - "start_lr": 0.001, - "stop_lr": 3.51e-08, - "_comment5": "that's all" + "fitting_net": { + "neuron": [ + 20, + 20, + 20 + ], + "resnet_dt": true, + "seed": 1, + "_comment3": " that's all" }, - "loss": { - "type": "ener", - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "_comment6": " that's all" + "_comment4": " that's all", + "type_embedding": { + "neuron": [ + 1 + ] + } + }, + "learning_rate": { + "type": "exp", + "decay_steps": 5000, + "start_lr": 0.001, + "stop_lr": 3.51e-08, + "_comment5": "that's all" + }, + "loss": { + "type": "ener", + "start_pref_e": 0.02, + "limit_pref_e": 1, + "start_pref_f": 1000, + "limit_pref_f": 1, + "start_pref_v": 0, + "limit_pref_v": 0, + "_comment6": " that's all" + }, + "training": { + "training_data": { + "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", + "batch_size": "auto", + "_comment7": "that's all" }, - "training": { - "training_data": { - "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", - "batch_size": "auto", - "_comment7": "that's all" - }, - "validation_data": { - "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", - "batch_size": 1, - "numb_btch": 3, - "_comment8": "that's all" - }, - "numb_steps": 1, - "seed": 10, - "disp_file": "lcurve.out", - "disp_freq": 1, - "save_freq": 1, - "_comment9": "that's all" + "validation_data": { + "systems": "/home/data/zcq/deepmd-kit/source/tests/tf/model_compression/data", + "batch_size": 1, + "numb_btch": 3, + "_comment8": "that's all" }, - "_comment10": "that's all" -} \ No newline at end of file + "numb_steps": 1, + "seed": 10, + "disp_file": "lcurve.out", + "disp_freq": 1, + "save_freq": 1, + "_comment9": "that's all" + }, + "_comment10": "that's all" +}