diff --git a/meta.yaml b/meta.yaml index e70bbd6..d757334 100644 --- 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 index a5dfc0a..fbb6a3e 100644 --- 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 index 54a0bf2..54829b4 100644 --- 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'))