From 4bcdedc4f0dddea1069ba616c22976e8a4d6901f Mon Sep 17 00:00:00 2001 From: Han Wang Date: Thu, 4 Jan 2024 23:08:50 +0800 Subject: [PATCH] rm rcut from DeepmdDataSystem --- deepmd/utils/data_system.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/deepmd/utils/data_system.py b/deepmd/utils/data_system.py index bf05b5faa7..65cfdc053f 100644 --- a/deepmd/utils/data_system.py +++ b/deepmd/utils/data_system.py @@ -37,7 +37,7 @@ def __init__( systems: List[str], batch_size: int, test_size: int, - rcut: float, + rcut: Optional[float] = None, set_prefix: str = "set", shuffle_test: bool = True, type_map: Optional[List[str]] = None, @@ -59,7 +59,7 @@ def __init__( test_size The size of test data rcut - The cut-off radius + The cut-off radius. Not used. set_prefix Prefix for the directories of different sets shuffle_test @@ -91,7 +91,7 @@ def __init__( descriptors except mixed types. """ # init data - self.rcut = rcut + del rcut self.system_dirs = systems self.nsystems = len(self.system_dirs) self.data_systems = []