convert cmdargs str to list

Leimeroth · Leimeroth · commit cd2c96c94522 · 2025-12-18T14:46:22.000+01:00
diff --git a/calphy/helpers.py b/calphy/helpers.py
@@ -72,8 +72,10 @@ def create_object(
     if script_mode:
         lmp = LammpsScript()
     else:
-        if cmdargs == []:
+        if cmdargs == "":
             cmdargs = None
+        else:
+            cmdargs = cmdargs.split()
         lmp = LammpsLibrary(cores=cores, working_directory=directory, cmdargs=cmdargs)
 
     commands = [
diff --git a/calphy/input.py b/calphy/input.py
@@ -185,7 +185,7 @@ class MD(BaseModel, title="MD specific input options"):
         Union[float, conlist(float, min_length=2, max_length=2)],
         Field(default=0.1, gt=0),
     ]
-    cmdargs: Annotated[List, Field(default=[])]
+    cmdargs: Annotated[str, Field(default="")]
     init_commands: Annotated[List, Field(default=[])]
 
 

Original file line number	Diff line number	Diff line change
`@@ -185,7 +185,7 @@ class MD(BaseModel, title="MD specific input options"):`
`185`	`185`	`Union[float, conlist(float, min_length=2, max_length=2)],`
`186`	`186`	`Field(default=0.1, gt=0),`
`187`	`187`	`]`
`188`		`- cmdargs: Annotated[List, Field(default=[])]`
	`188`	`+ cmdargs: Annotated[str, Field(default="")]`
`189`	`189`	`init_commands: Annotated[List, Field(default=[])]`
`190`	`190`
`191`	`191`