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fix env_mat serialize for ut
1 parent fcdd130 commit bb717e0

5 files changed

Lines changed: 15 additions & 5 deletions

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deepmd/pd/model/descriptor/dpa1.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -506,7 +506,9 @@ def serialize(self) -> dict:
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"precision": RESERVED_PRECISION_DICT[obj.prec],
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"embeddings": obj.filter_layers.serialize(),
508508
"attention_layers": obj.dpa1_attention.serialize(),
509-
"env_mat": DPEnvMat(obj.rcut, obj.rcut_smth).serialize(),
509+
"env_mat": DPEnvMat(
510+
obj.rcut, obj.rcut_smth, obj.env_protection
511+
).serialize(),
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"type_embedding": self.type_embedding.embedding.serialize(),
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"exclude_types": obj.exclude_types,
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"env_protection": obj.env_protection,

deepmd/pd/model/descriptor/se_a.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -337,7 +337,9 @@ def serialize(self) -> dict:
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# make deterministic
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"precision": RESERVED_PRECISION_DICT[obj.prec],
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"embeddings": obj.filter_layers.serialize(),
340-
"env_mat": DPEnvMat(obj.rcut, obj.rcut_smth).serialize(),
340+
"env_mat": DPEnvMat(
341+
obj.rcut, obj.rcut_smth, obj.env_protection
342+
).serialize(),
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"exclude_types": obj.exclude_types,
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"env_protection": obj.env_protection,
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"@variables": {

deepmd/pt/model/descriptor/dpa1.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -508,7 +508,9 @@ def serialize(self) -> dict:
508508
"precision": RESERVED_PRECISION_DICT[obj.prec],
509509
"embeddings": obj.filter_layers.serialize(),
510510
"attention_layers": obj.dpa1_attention.serialize(),
511-
"env_mat": DPEnvMat(obj.rcut, obj.rcut_smth).serialize(),
511+
"env_mat": DPEnvMat(
512+
obj.rcut, obj.rcut_smth, obj.env_protection
513+
).serialize(),
512514
"type_embedding": self.type_embedding.embedding.serialize(),
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"exclude_types": obj.exclude_types,
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"env_protection": obj.env_protection,

deepmd/pt/model/descriptor/se_a.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -381,7 +381,9 @@ def serialize(self) -> dict:
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# make deterministic
382382
"precision": RESERVED_PRECISION_DICT[obj.prec],
383383
"embeddings": obj.filter_layers.serialize(),
384-
"env_mat": DPEnvMat(obj.rcut, obj.rcut_smth).serialize(),
384+
"env_mat": DPEnvMat(
385+
obj.rcut, obj.rcut_smth, obj.env_protection
386+
).serialize(),
385387
"exclude_types": obj.exclude_types,
386388
"env_protection": obj.env_protection,
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"@variables": {

deepmd/pt/model/descriptor/se_t.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -415,7 +415,9 @@ def serialize(self) -> dict:
415415
"activation_function": obj.activation_function,
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"precision": RESERVED_PRECISION_DICT[obj.prec],
417417
"embeddings": obj.filter_layers.serialize(),
418-
"env_mat": DPEnvMat(obj.rcut, obj.rcut_smth).serialize(),
418+
"env_mat": DPEnvMat(
419+
obj.rcut, obj.rcut_smth, obj.env_protection
420+
).serialize(),
419421
"exclude_types": obj.exclude_types,
420422
"env_protection": obj.env_protection,
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"type_map": self.type_map,

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