From 6abfac1cdb8e318d0d55fe48f2d7cc1735080094 Mon Sep 17 00:00:00 2001
From: Jia-Xin Zhu <jiaxinzhu@stu.xmu.edu.cn>
Date: Wed, 9 Aug 2023 15:01:44 +0800
Subject: [PATCH 1/3] fix bug in deepmd.infer.deep_pot.DeepPot

- fix bug in checking t_efield op in the graph
- delete arg atomic in `_prepare_feed_dict` (otherwise, efield cannot be imported correctly when using this method)
---
 deepmd/infer/deep_pot.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/deepmd/infer/deep_pot.py b/deepmd/infer/deep_pot.py
index 122dfd7442..3d19b28884 100644
--- a/deepmd/infer/deep_pot.py
+++ b/deepmd/infer/deep_pot.py
@@ -1,5 +1,6 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
 import logging
+import os
 from typing import (
     TYPE_CHECKING,
     Callable,
@@ -114,15 +115,15 @@ 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 os.path.join(load_prefix, "t_efield") 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 os.path.join(load_prefix, "t_fparam") in operations:
             self.tensors.update({"t_fparam": "t_fparam:0"})
             self.has_fparam = True
         else:
@@ -130,7 +131,7 @@ def __init__(
             self.t_fparam = None
             self.has_fparam = False
 
-        if "load/t_aparam" in operations:
+        if os.path.join(load_prefix, "t_aparam") in operations:
             self.tensors.update({"t_aparam": "t_aparam:0"})
             self.has_aparam = True
         else:
@@ -138,7 +139,7 @@ def __init__(
             self.t_aparam = None
             self.has_aparam = False
 
-        if "load/spin_attr/ntypes_spin" in operations:
+        if os.path.join(load_prefix, "spin_attr/ntypes_spin") in operations:
             self.tensors.update({"t_ntypes_spin": "spin_attr/ntypes_spin:0"})
             self.has_spin = True
         else:
@@ -399,7 +400,6 @@ def _prepare_feed_dict(
         atom_types,
         fparam=None,
         aparam=None,
-        atomic=False,
         efield=None,
         mixed_type=False,
     ):

From c73a4fe89eb4b118c6d9471b465713a300fbdcf7 Mon Sep 17 00:00:00 2001
From: Jia-Xin Zhu <jiaxinzhu@stu.xmu.edu.cn>
Date: Wed, 9 Aug 2023 21:01:58 +0800
Subject: [PATCH 2/3] replace os.path.join with

---
 deepmd/infer/deep_pot.py | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/deepmd/infer/deep_pot.py b/deepmd/infer/deep_pot.py
index 3d19b28884..396a9753a4 100644
--- a/deepmd/infer/deep_pot.py
+++ b/deepmd/infer/deep_pot.py
@@ -115,7 +115,8 @@ def __init__(
         operations = [op.name for op in self.graph.get_operations()]
         # check if the graph has these operations:
         # if yes add them
-        if os.path.join(load_prefix, "t_efield") in operations:
+        
+        if ("%s/t_efield" % load_prefix) in operations:
             self.tensors.update({"t_efield": "t_efield:0"})
             self.has_efield = True
         else:
@@ -123,7 +124,7 @@ def __init__(
             self.t_efield = None
             self.has_efield = False
 
-        if os.path.join(load_prefix, "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:
@@ -131,7 +132,7 @@ def __init__(
             self.t_fparam = None
             self.has_fparam = False
 
-        if os.path.join(load_prefix, "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:
@@ -139,7 +140,7 @@ def __init__(
             self.t_aparam = None
             self.has_aparam = False
 
-        if os.path.join(load_prefix, "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:

From 5d526c95bae0e257efd62131899302d5202086dd Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Wed, 9 Aug 2023 13:02:33 +0000
Subject: [PATCH 3/3] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 deepmd/infer/deep_pot.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/deepmd/infer/deep_pot.py b/deepmd/infer/deep_pot.py
index 396a9753a4..b3e9be1e67 100644
--- a/deepmd/infer/deep_pot.py
+++ b/deepmd/infer/deep_pot.py
@@ -1,6 +1,5 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
 import logging
-import os
 from typing import (
     TYPE_CHECKING,
     Callable,
@@ -115,7 +114,7 @@ def __init__(
         operations = [op.name for op in self.graph.get_operations()]
         # check if the graph has these operations:
         # if yes add them
-        
+
         if ("%s/t_efield" % load_prefix) in operations:
             self.tensors.update({"t_efield": "t_efield:0"})
             self.has_efield = True