Index formatting tweaks

Author: mfherbst

adcc/ExcitedStates.py

@@ -41,7 +41,7 @@
 
 
 class FormatExcitationVector:
-    def __init__(self, matrix, tolerance=1e-3, index_format=None):
+    def __init__(self, matrix, tolerance=0.01, index_format=None):
         """
         Set up a formatter class for formatting excitation vectors.
 
@@ -471,7 +471,7 @@ def _repr_pretty_(self, pp, cycle):
         else:
             pp.text(self.describe())
 
-    def describe_amplitudes(self, tolerance=1e-3, index_format=None):
+    def describe_amplitudes(self, tolerance=0.01, index_format=None):
         """
         Return a string describing the dominant amplitudes of each
         excitation vector in human-readable form. The ``kwargs``

adcc/FormatDominantElements.py

@@ -29,9 +29,9 @@
 
 
 class FormatDominantElements:
-    def __init__(self, mospaces, tolerance=1e-3, index_format=FormatIndexAdcc):
+    def __init__(self, mospaces, tolerance=0.01, index_format=FormatIndexAdcc):
         self.mospaces = mospaces
-        self.tolerance = 1e-3
+        self.tolerance = tolerance
         self.value_format = "{:+8.3g}"  # Formatting used for the values
 
         if isinstance(index_format, type):

adcc/FormatIndex.py

@@ -245,8 +245,7 @@ def optimise_formatting(self, space_index_pairs):
         """
         maxlen = max(len(self._translate_index(space, idx)[1])
                      for space, idx in space_index_pairs)
-        log_max_idx = int(np.log(max(1, maxlen)))
-        self.maxlen_offset = max(log_max_idx, self.maxlen_offset, 2)
+        self.maxlen_offset = max(maxlen, self.maxlen_offset, 2)
 
     def format(self, space, idx, concat_spin=True):
         word, offset, spin = self._translate_index(space, idx)