orto 0.26.0__py3-none-any.whl → 0.26.1__py3-none-any.whl

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Files changed (7) hide show
  1. orto/__version__.py +1 -1
  2. orto/extractor.py +1 -0
  3. {orto-0.26.0.dist-info → orto-0.26.1.dist-info}/METADATA +1 -1
  4. {orto-0.26.0.dist-info → orto-0.26.1.dist-info}/RECORD +7 -7
  5. {orto-0.26.0.dist-info → orto-0.26.1.dist-info}/WHEEL +0 -0
  6. {orto-0.26.0.dist-info → orto-0.26.1.dist-info}/entry_points.txt +0 -0
  7. {orto-0.26.0.dist-info → orto-0.26.1.dist-info}/top_level.txt +0 -0
orto/__version__.py CHANGED
@@ -1 +1 @@
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- __version__ = '0.26.0'
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+ __version__ = '0.26.1'
orto/extractor.py CHANGED
@@ -574,6 +574,7 @@ class FrequencyExtractor(extto.BetweenExtractor):
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  # Calculate A_e in units of m mol^-1
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  ae = np.ones_like(wavenumbers)
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+ ae[:n_zero] = 0
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  ae *= sc.Avogadro / (12 * sc.epsilon_0 * sc.speed_of_light**2)
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  ae[n_zero:] *= t[n_zero:] ** 2
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  # and convert to km mol^-1
{orto-0.26.0.dist-info → orto-0.26.1.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: orto
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- Version: 0.26.0
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+ Version: 0.26.1
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  Summary: A package to make life easier when performing Orca calculations.
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  Home-page: https://gitlab.com/kragskow-group/orto
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  Author: Jon Kragskow
{orto-0.26.0.dist-info → orto-0.26.1.dist-info}/RECORD RENAMED
@@ -1,13 +1,13 @@
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  orto/__init__.py,sha256=iSR4TAfpJn1_mwTnnncgwmWBz3q_ImdmhnOORKcOvE0,63
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- orto/__version__.py,sha256=Yk2dE3467PDiOPAi-UY_vFwY2lR6HNd27tFHSJqUVxg,23
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+ orto/__version__.py,sha256=ETW1KUvXcKPocfR8oqFVOl2UoxVGnBdqQHPWngZJk_g,23
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  orto/cli.py,sha256=VuPnxYLlj4CCjZqmmROXao4uiaUtecvo67faphurw2Q,59383
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- orto/extractor.py,sha256=23eehR67TsbifEXj9vc-jpGvninGcjdltHH01xCQdM4,66274
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+ orto/extractor.py,sha256=Gr3qnwHh77zrDrIe_RD8S2Lq5RXjLCa-B3SYM4PyskU,66298
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  orto/input.py,sha256=UMYNPGeqOCNKvPYJVfVS2JU7Ost_xM1ZG28t5f9-Er0,7084
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  orto/job.py,sha256=SM0nlc_bqhhPvfuuykhMvaUnkwC3Gp-6RvYw_a0TyGc,5855
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  orto/plotter.py,sha256=ICrO03T_HGe-H1XKZ2qzsKYdPY44E0PKiXqIQQawd7I,15633
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  orto/utils.py,sha256=gVfGplkfc6xGYgLMi_7I_yAdWG-QKRaqQdy9v5F4Mck,7279
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- orto-0.26.0.dist-info/METADATA,sha256=nPozTBQyXatvk-DzBDaD7nftyiOKV-aHMU3EkayqrF0,1165
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- orto-0.26.0.dist-info/WHEEL,sha256=Nw36Djuh_5VDukK0H78QzOX-_FQEo6V37m3nkm96gtU,91
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- orto-0.26.0.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
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- orto-0.26.0.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
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- orto-0.26.0.dist-info/RECORD,,
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+ orto-0.26.1.dist-info/METADATA,sha256=i5d5W0asbyjpZtO7zzehpPJrNiQgIKWWVMjOpjxXoRw,1165
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+ orto-0.26.1.dist-info/WHEEL,sha256=Nw36Djuh_5VDukK0H78QzOX-_FQEo6V37m3nkm96gtU,91
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+ orto-0.26.1.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
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+ orto-0.26.1.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
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+ orto-0.26.1.dist-info/RECORD,,
{orto-0.26.0.dist-info → orto-0.26.1.dist-info}/WHEEL RENAMED
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