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breaking: dp test all data #2756

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Merged
wanghan-iapcm merged 2 commits into from
Aug 25, 2023
Merged

breaking: dp test all data #2756

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6d99a96
feat: dp test all data
njzjz Aug 23, 2023
94e3479
change the default value of `numb-test` to 0
njzjz Aug 24, 2023
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5 changes: 4 additions & 1 deletion deepmd/entrypoints/test.py
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Original file line number Diff line number Diff line change
Expand Up @@ -71,7 +71,7 @@ def test(
set_prefix : str
string prefix of set
numb_test : int
munber of tests to do
munber of tests to do. 0 means all data.
rand_seed : Optional[int]
seed for random generator
shuffle_test : bool
Expand All @@ -88,6 +88,9 @@ def test(
RuntimeError
if no valid system was found
"""
if numb_test == 0:
# only float has inf, but should work for min
numb_test = float("inf")
if datafile is not None:
datalist = open(datafile)
all_sys = datalist.read().splitlines()
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6 changes: 5 additions & 1 deletion deepmd_cli/main.py
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Original file line number Diff line number Diff line change
Expand Up @@ -274,7 +274,11 @@ def main_parser() -> argparse.ArgumentParser:
"-S", "--set-prefix", default="set", type=str, help="The set prefix"
)
parser_tst.add_argument(
"-n", "--numb-test", default=100, type=int, help="The number of data for test"
"-n",
"--numb-test",
default=0,
type=int,
help="The number of data for test. 0 means all data.",
)
parser_tst.add_argument(
"-r", "--rand-seed", type=int, default=None, help="The random seed"
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