Small bugfix in the reporting of the energy values

ifilot · May 14, 2024 · d257466 · d257466
1 parent 4835f0c
commit d257466
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/meta.yaml b/meta.yaml
@@ -1,6 +1,6 @@
 package:
   name: "pyqint"
-  version: "0.17.0"
+  version: "0.17.1"
 
 source:
   path: .

diff --git a/pyqint/_version.py b/pyqint/_version.py
@@ -1,2 +1,2 @@
-__version__ = "0.17.0"
+__version__ = "0.17.1"
 
diff --git a/pyqint/abobuilder.py b/pyqint/abobuilder.py
@@ -80,7 +80,7 @@ def build_abo(self, outfile, isovalue=0.01, alpha=0.8, sz=5, npts=100):
             # write frame_idx
             f.write((i+1).to_bytes(2, byteorder='little'))
 
-            descriptor = "MO %02i (E = %.1f Ht)" % (i+1, self.orbe_canonical[i])
+            descriptor = "MO %02i (E = %.5f Ht)" % (i+1, self.orbe_canonical[i])
 
             f.write(len(descriptor).to_bytes(2, byteorder='little'))
             f.write(bytearray(descriptor, encoding='utf8'))