bug fixed, parse run type ENERGY for cp2k

robinzyb · Oct 16, 2023 · c35faa0 · c35faa0
1 parent fe55a53
commit c35faa0
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/cp2kdata/output.py b/cp2kdata/output.py
@@ -72,6 +72,7 @@ def __init__(self, output_file=None, run_type: str=None, path_prefix=".", **kwar
         self.check_run_type(run_type=self.global_info.run_type)
 
         run_type_parser_candidates = {
+            "ENERGY": self.parse_energy_force,
             "ENERGY_FORCE": self.parse_energy_force,
             "GEO_OPT": self.parse_geo_opt,
             "CELL_OPT": self.parse_cell_opt,