Add iref to get_energyterms_dataframe

abipy/electrons/gsr.py

@@ -500,16 +500,19 @@ class GsrRobot(Robot, RobotWithEbands):
         dataframe = pd.DataFrame(rows, index=index, columns=list(rows[0].keys()) if rows else None)
         return dict2namedtuple(fits=fits, dataframe=dataframe)
 
-    def get_energyterms_dataframe(self, abspath=False):
+    def get_energyterms_dataframe(self, iref=None, abspath=False):
         rows, row_names = [], []
         for label, gsr in self.items():
             row_names.append(label)
-            rows.append(gsr.energy_terms)
+            d = OrderedDict([("energy", gsr.energy)])
+            d.update(gsr.energy_terms)
+            rows.append(d)
 
         row_names = row_names if not abspath else self._to_relpaths(row_names)
         df = pd.DataFrame(rows, index=row_names, columns=list(rows[0].keys()))
-        first_row = df.iloc[[0]].values[0]
-        df = df.apply(lambda row: row - first_row, axis=1)
+        if iref is not None:
+            first_row = df.iloc[[iref]].values[0]
+            df = df.apply(lambda row: row - first_row, axis=1)
         return df
 
     @add_fig_kwargs

abipy/scripts/abicomp.py

@@ -543,6 +543,7 @@ def _invoke_robot(options):
 
     if options.ipython:
         import IPython
+        robot.trim_paths()
         IPython.embed(header=repr(robot) + "\n\nType `robot` in the terminal and use <TAB> to list its methods",
                       robot=robot)
 
@@ -550,6 +551,7 @@ def _invoke_robot(options):
         robot.make_and_open_notebook(foreground=options.foreground)
 
     else:
+        robot.trim_paths()
         #df = robot.get_params_dataframe()
         #abilab.print_dataframe(df, title="Output of robot.get_params_dataframe():")