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simplify: allow initial models trained by initial data #1201

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May 4, 2023
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simplify: allow initial models trained by initial data #1201

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9 changes: 6 additions & 3 deletions dpgen/simplify/simplify.py
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Original file line number Diff line number Diff line change
Expand Up @@ -530,12 +530,15 @@
task_name = "task %02d" % jj
sepline("{} {}".format(iter_name, task_name), "-")
jdata["model_devi_jobs"] = [{} for _ in range(ii + 1)]
if ii == 0 and jj < 6:
if ii == 0 and jj < 6 and (jj >= 3 or not jdata.get("init_data_sys", [])):

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if jj == 0:
log_iter("init_pick", ii, jj)
log_iter("init_train", ii, jj)

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init_model(ii, jdata, mdata)
elif jj == 3:
log_iter("init_pick", ii, jj)

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init_pick(ii, jdata, mdata)
dlog.info("first iter, skip step 1-5")
else:
dlog.info("first iter, skip step 1-5")

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elif jj == 0:
log_iter("make_train", ii, jj)
make_train(ii, jdata, mdata)
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