fix: removed redundant

deepmodeling · Jul 3, 2024 · aebec7c · aebec7c
1 parent 37b96b8
commit aebec7c
Showing 1 changed file with 0 additions and 15 deletions.
diff --git a/dpdata/xyz/quip_gap_xyz.py b/dpdata/xyz/quip_gap_xyz.py
@@ -253,20 +253,6 @@ def handle_single_xyz_frame(lines):
 
         try:
             if f_units == "kcal/mol/angstrom":
-<<<<<<< HEAD
-                info_dict["forces"] = np.array([force_array]).astype("float32") * f_conv_kcalpermolperang2eVperang
-            elif f_units == "hartree/angstrom" or f_units == "hartree/ang" or f_units == "hartree/ang.":
-                info_dict["forces"] = np.array([force_array]).astype("float32") * f_conv_auperang2eVperang
-            elif f_units == "kcal/mol/bohr":
-                info_dict["forces"] = np.array([force_array]).astype("float32") * f_conv_kcalpermolperbohr2eVperang
-            elif f_units == "kcal/mol/bohr":
-                info_dict["forces"] = np.array([force_array]).astype("float32") * f_conv_au2eVperang
-            elif f_units == "ev/angstrom" or f_units == "ev/ang" or f_units == "ev/ang.":
-                info_dict["forces"] = np.array([force_array]).astype("float32")
-            else: info_dict["forces"] = np.array([force_array]).astype("float32")
-        except Exception:
-            info_dict["forces"] = np.array([force_array]).astype("float32")
-=======
                 info_dict["forces"] = (
                     np.array([force_array]).astype("float32")
                     * f_conv_kcalpermolperang2eVperang
@@ -296,7 +282,6 @@ def handle_single_xyz_frame(lines):
                 info_dict["forces"] = np.array([force_array]).astype("float32")
         except:
             info_dict["forces"] = np.array([force_array]).astype("float32")
->>>>>>> origin/devel
 
         if virials is not None:
             info_dict["virials"] = virials