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support DP 2.x inference #162

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Merged
amcadmus merged 2 commits into from
Jun 7, 2021
Merged

support DP 2.x inference #162

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1c65ebe
support DP 2.x inference
njzjz Jun 4, 2021
05f82c9
update another place where deepmd is imported
njzjz Jun 4, 2021
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14 changes: 12 additions & 2 deletions dpdata/system.py
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Original file line number Diff line number Diff line change
Expand Up @@ -964,7 +964,12 @@ def predict(self, dp):
labeled_sys LabeledSystem
The labeled system.
"""
import deepmd.DeepPot as DeepPot
try:
# DP 1.x
import deepmd.DeepPot as DeepPot
except ModuleNotFoundError:
# DP 2.x
from deepmd.infer import DeepPot
if not isinstance(dp, DeepPot):
dp = DeepPot(dp)
type_map = dp.get_type_map()
Expand Down Expand Up @@ -1800,7 +1805,12 @@ def from_deepmd_npy(self, folder):
return self

def predict(self, dp):
import deepmd.DeepPot as DeepPot
try:
# DP 1.x
import deepmd.DeepPot as DeepPot
except ModuleNotFoundError:
# DP 2.x
from deepmd.infer import DeepPot
if not isinstance(dp, DeepPot):
dp = DeepPot(dp)
new_multisystems = dpdata.MultiSystems()
Expand Down