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Update run.py
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thangckt committed Aug 27, 2024
1 parent 8bede16 commit 62f40d5
Showing 1 changed file with 8 additions and 3 deletions.
11 changes: 8 additions & 3 deletions dpgen/generator/run.py
Original file line number Diff line number Diff line change
Expand Up @@ -205,8 +205,8 @@ def copy_model(numb_model, prv_iter_index, cur_iter_index, suffix=".pb"):
"graph.%03d%s" % (ii, suffix),
)
os.chdir(cwd)
with open(os.path.join(cur_train_path, "copied"), "w") as fp:
None
# with open(os.path.join(cur_train_path, "copied"), "w") as fp:
# None


def poscar_natoms(lines):
Expand Down Expand Up @@ -390,7 +390,12 @@ def make_train_dp(iter_index, jdata, mdata):
for single_sys in sys_paths:
init_data_sys.append(
Path(
f"../data.init/{ii}/{os.path.relpath(single_sys, os.path.join(init_data_prefix, ii))}"
os.path.join(
"..",
"data.init",
ii,
os.path.relpath(single_sys, os.path.join(init_data_prefix, ii)),
)
).as_posix()
)
init_batch_size.append(detect_batch_size(ss, single_sys))
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