add files via upload

clean_config.py

@@ -0,0 +1,28 @@
+"""Clean old YAML configs.
+
+The old config is not exactly the same as the current one. There might be extra keys or
+missing keys. To make them compatible with the current one, we use the following script
+to merge and reformat the old `config.yml`.
+
+Please note that the configs are just used for reference and is not intended to be used
+as input files for new training runs.
+"""
+
+from pathlib import Path
+
+from deephall.config import Config
+from omegaconf import OmegaConf
+
+
+def clean_yml(yml_file):
+    cfg = OmegaConf.merge(Config(), Config.from_dict(OmegaConf.load(yml_file)))
+    if cfg.log.restore_path is not None:
+        cfg.log.restore_path = ".."
+    cfg.log.save_path = "."
+    return OmegaConf.to_yaml(cfg)
+
+
+for yml_file in Path("data").glob("**/config.yml"):
+    yml = clean_yml(yml_file)
+    with yml_file.open("w") as f:
+        f.write(yml)

data/energy_vs_n.csv

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+n,energy,std,ed
+6,-0.41168845,2.645261465572502e-06,-0.41094950643499634
+7,-0.41154683,2.9021290953529602e-06,-0.4108186442746442
+8,-0.41144392,2.879689747086185e-06,-0.41073635638010386
+9,-0.41136873,3.0823275062070137e-06,-0.4106794013008164
+10,-0.41128018,3.2480661023628443e-06,-0.41062899996355423
+11,-0.4112016,3.8126137541463985e-06,-0.41058331623433447
+12,-0.41112423,3.7313885028253074e-06,

data/llm_1_3.csv

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+kappa,energy,energy_std,qp_energy,qp_energy_std,qh_energy,qh_energy_std,gap,gap_std,overlap,overlap_std,n_LLL,n_LLL_std
+0.5,-0.41105583,1.8490209472450772e-05,-0.39742488,7.753923570213439e-06,-0.40584293,7.042846521292787e-06,0.1129933,0.00029937506944612284,0.9975610704784689,0.00022858217942402706,5.9989038,0.0007661699141875938
+1.0,-0.41164517,3.1315617505318924e-06,-0.3989701,1.3159696385124845e-05,-0.40666726,3.4877499844903763e-06,0.10584703,0.00015329843027132365,0.9943108698093162,0.0015627948018575042,5.995548,0.0007512744966378106
+3.0,-0.41333145,3.4658895420822343e-06,-0.4032017,1.2895237789407956e-06,-0.40878397,1.2448402017233627e-06,0.088052385,5.3420196010635674e-05,0.9749903838357865,0.002126463195437478,5.9643607,0.0007763967535057915
+10.0,-0.41742468,9.77647255010857e-07,-0.41054314,3.8698513972323373e-07,-0.41367915,3.504595399620343e-07,0.06376535,1.4867965703793503e-05,0.8726794740575973,0.0013604752726157426,5.7500014,0.0008008284880559299

data/n10l27/k1/ckpt_099999.npz

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data/n10l27/k1/config.yml

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+  initial_energy: true

data/n10l27/k1/energy-100k/netobs_ckpt_001999.npz

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data/n11l30/k1/ckpt_099999.npz

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data/n11l30/k1/config.yml

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data/n12l33/k1/energy-100k/netobs_ckpt_001999.npz

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data/n6l14/k0.5/lz3/config.yml

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+  adam:
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+      decay: 1.0
+      delay: 2000.0
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+      decay: 1.0
+      delay: 2000.0
+log:
+  save_path: .
+  restore_path: null
+  save_time_interval: 600
+  save_step_interval: 1000
+  initial_energy: true

data/n6l14/k3/energy/netobs_ckpt_001999.npz

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