Print full energy and max force precision

Author: ElliottKasoar

janus_core/calculations/geom_opt.py

@@ -300,8 +300,8 @@ def run(self) -> None:
 
         if self.logger:
             self.logger.info("After optimization spacegroup: %s", s_grp)
-            self.logger.info("Max force: %.6f", max_force)
-            self.logger.info("Final energy: %.6f", self.struct.get_potential_energy())
+            self.logger.info("Max force: %s", max_force)
+            self.logger.info("Final energy: %s", self.struct.get_potential_energy())
 
         if not converged:
             warnings.warn(

tests/test_geomopt_cli.py

@@ -85,12 +85,13 @@ def test_log(tmp_path):
     )
     assert result.exit_code == 0
 
+    # Only check reduced precision of energy and max force
     assert_log_contains(
         log_path,
         includes=[
             "Starting geometry optimization",
-            "Final energy: -27.035128",
-            "Max force: 0.000000",
+            "Final energy: -27.035127",
+            "Max force: ",
         ],
         excludes="Using filter",
     )