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fix bug in deepmd.infer.deep_pot.DeepPot #2731

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Merged
wanghan-iapcm merged 4 commits into from
Aug 19, 2023
Merged

fix bug in deepmd.infer.deep_pot.DeepPot #2731

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6abfac1
fix bug in deepmd.infer.deep_pot.DeepPot
ChiahsinChu Aug 9, 2023
c73a4fe
replace os.path.join with
ChiahsinChu Aug 9, 2023
5d526c9
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 9, 2023
1d54576
Merge branch 'deepmodeling:devel' into devel
ChiahsinChu Aug 10, 2023
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12 changes: 6 additions & 6 deletions deepmd/infer/deep_pot.py
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Original file line number Diff line number Diff line change
Expand Up @@ -114,31 +114,32 @@ def __init__(
operations = [op.name for op in self.graph.get_operations()]
# check if the graph has these operations:
# if yes add them
if "t_efield" in operations:
self._get_tensor("t_efield:0", "t_efield")

if ("%s/t_efield" % load_prefix) in operations:
self.tensors.update({"t_efield": "t_efield:0"})
self.has_efield = True
else:
log.debug("Could not get tensor 't_efield:0'")
self.t_efield = None
self.has_efield = False

if "load/t_fparam" in operations:
if ("%s/t_fparam" % load_prefix) in operations:
self.tensors.update({"t_fparam": "t_fparam:0"})
self.has_fparam = True
else:
log.debug("Could not get tensor 't_fparam:0'")
self.t_fparam = None
self.has_fparam = False

if "load/t_aparam" in operations:
if ("%s/t_aparam" % load_prefix) in operations:
self.tensors.update({"t_aparam": "t_aparam:0"})
self.has_aparam = True
else:
log.debug("Could not get tensor 't_aparam:0'")
self.t_aparam = None
self.has_aparam = False

if "load/spin_attr/ntypes_spin" in operations:
if ("%s/spin_attr/ntypes_spin" % load_prefix) in operations:
self.tensors.update({"t_ntypes_spin": "spin_attr/ntypes_spin:0"})
self.has_spin = True
else:
Expand Down Expand Up @@ -399,7 +400,6 @@ def _prepare_feed_dict(
atom_types,
fparam=None,
aparam=None,
atomic=False,
efield=None,
mixed_type=False,
):
Expand Down