fix

Signed-off-by: Jinzhe Zeng <[email protected]>
tongzhugroup · May 25, 2024 · 85b35d1 · 85b35d1
1 parent cee86bd
commit 85b35d1
Show file tree

Hide file tree

Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/mddatasetbuilder/deepmd.py b/mddatasetbuilder/deepmd.py
@@ -53,7 +53,7 @@ def _searchpath(self):
                 self._preparedeepmdforLOG, tqdm(logfiles, disable=None)
             ):
                 multi_systems.append(system)
-        multi_systems.to_deepmd_npy(self.deepmd_dir)
+        multi_systems.to_deepmd_npy(self.deepmd_dir)  # type: ignore
         for formula, system in multi_systems.systems.items():
             self.system_paths.append(os.path.join(self.deepmd_dir, formula))
             self.batch_size.append(

diff --git a/mddatasetbuilder/detect.py b/mddatasetbuilder/detect.py
@@ -290,7 +290,7 @@ def _crd2bond(cls, step_atoms, readlevel):
                 bond[s2].append(level)
         return bond
 
-    def readcrd(self, item) -> tuple[Atoms, List[int]]:
+    def readcrd(self, item) -> Tuple[Atoms, List[int]]:
         """Only this function can read coordinates."""
         lines = item
         # box information