orto 0.27.0__py3-none-any.whl → 0.27.1__py3-none-any.whl

orto/__version__.py

@@ -1 +1 @@
-__version__ = '0.27.0'
+__version__ = '0.27.1'

orto/cli.py

@@ -1379,7 +1379,7 @@ def read_args(arg_list=None):
         '--output_file',
         type=pathlib.Path,
         help=(
-            'Name of truncated molden file',
+            'Name of truncated molden file\n'
             'If not specified, molden file will be truncated in place'
         ),
         default=None

orto/extractor.py

@@ -478,7 +478,7 @@ class FrequencyExtractor(extto.BetweenExtractor):
             [float(val) for val in freq_pattern.findall(block)]
         )
 
-        # Check if symmetry is enabled by searching for 
+        # Check if symmetry is enabled by searching for
         # "Point group" in block
         if re.search(r'Point group', block):
             symmetry = True
@@ -613,7 +613,7 @@ class FrequencyExtractor(extto.BetweenExtractor):
             irreps = np.concatenate([
                 [
                     irrep
-                    for irrep in iblock.replace('\n','').split()
+                    for irrep in iblock.replace('\n', '').split()
                 ]
                 for iblock in irrep_blocks
             ])

{orto-0.27.0.dist-info → orto-0.27.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: orto
-Version: 0.27.0
+Version: 0.27.1
 Summary: A package to make life easier when performing Orca calculations.
 Home-page: https://orto.kragskow.group
 Author: Jon Kragskow

orto-0.27.1.dist-info/RECORD

@@ -0,0 +1,13 @@
+orto/__init__.py,sha256=iSR4TAfpJn1_mwTnnncgwmWBz3q_ImdmhnOORKcOvE0,63
+orto/__version__.py,sha256=ufudjmEpRocDSQt0zs8NFi9hC8HnWct5ABBMYMx5W3o,23
+orto/cli.py,sha256=5fRCsrpwcQ191XSGW7OrX4Bc-Oqxu0Q2WnwkgMW_I9o,59396
+orto/extractor.py,sha256=OW26HLbfp6BV5dMhLvQeo5Nd9CcdgcE8-6Tdsrq1rk8,67554
+orto/input.py,sha256=UMYNPGeqOCNKvPYJVfVS2JU7Ost_xM1ZG28t5f9-Er0,7084
+orto/job.py,sha256=SM0nlc_bqhhPvfuuykhMvaUnkwC3Gp-6RvYw_a0TyGc,5855
+orto/plotter.py,sha256=ICrO03T_HGe-H1XKZ2qzsKYdPY44E0PKiXqIQQawd7I,15633
+orto/utils.py,sha256=gVfGplkfc6xGYgLMi_7I_yAdWG-QKRaqQdy9v5F4Mck,7279
+orto-0.27.1.dist-info/METADATA,sha256=bB5mOX8phFiqEyUipQykjtqLrk8Yomis7YQtItyDUoA,1141
+orto-0.27.1.dist-info/WHEEL,sha256=zaaOINJESkSfm_4HQVc5ssNzHCPXhJm0kEUakpsEHaU,91
+orto-0.27.1.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
+orto-0.27.1.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
+orto-0.27.1.dist-info/RECORD,,

orto-0.27.0.dist-info/RECORD

@@ -1,13 +0,0 @@
-orto/__init__.py,sha256=iSR4TAfpJn1_mwTnnncgwmWBz3q_ImdmhnOORKcOvE0,63
-orto/__version__.py,sha256=m4LkmsY19lpwrK_42z1nyRmX2kinCvycxpRYq9Tomek,23
-orto/cli.py,sha256=ljRUy_dJyJwJv4HHZNkZeGocd16nCiT7ZUoWSUdNOpc,59395
-orto/extractor.py,sha256=SSjfDPwtDU3RiAY7qjpmD2Gmxg8AT3zOawhfkwnHpIE,67554
-orto/input.py,sha256=UMYNPGeqOCNKvPYJVfVS2JU7Ost_xM1ZG28t5f9-Er0,7084
-orto/job.py,sha256=SM0nlc_bqhhPvfuuykhMvaUnkwC3Gp-6RvYw_a0TyGc,5855
-orto/plotter.py,sha256=ICrO03T_HGe-H1XKZ2qzsKYdPY44E0PKiXqIQQawd7I,15633
-orto/utils.py,sha256=gVfGplkfc6xGYgLMi_7I_yAdWG-QKRaqQdy9v5F4Mck,7279
-orto-0.27.0.dist-info/METADATA,sha256=n5UZZmsrpg5MTuJ-ug-OESbjxeJ7AE8CC9eUv5ayhfY,1141
-orto-0.27.0.dist-info/WHEEL,sha256=zaaOINJESkSfm_4HQVc5ssNzHCPXhJm0kEUakpsEHaU,91
-orto-0.27.0.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
-orto-0.27.0.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
-orto-0.27.0.dist-info/RECORD,,