update gap_fit command

materialsvirtuallab · Apr 15, 2022 · 049acc0 · 049acc0
1 parent 6979a88
commit 049acc0
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/maml/apps/pes/_gap.py b/maml/apps/pes/_gap.py
@@ -312,7 +312,7 @@ def train(
             param = kwargs.get(param_name) if kwargs.get(param_name) else soap_params.get(param_name)
             gap_command.append(param_name + "=" + f"{param}")
         gap_command.append("add_species=T")
-        exe_command.append("gap.2020.01=" + "{" + "{}".format(" ".join(gap_command)) + "}")
+        exe_command.append("gap=" + "{" + "{}".format(" ".join(gap_command)) + "}")
 
         for param_name in preprocess_params:
             param = kwargs.get(param_name) if kwargs.get(param_name) else soap_params.get(param_name)