qrotor 4.0.0a1__py3-none-any.whl → 4.0.0a2__py3-none-any.whl

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Files changed (7) hide show
  1. qrotor/_version.py +1 -1
  2. qrotor/solve.py +1 -1
  3. {qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/METADATA +2 -2
  4. {qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/RECORD +7 -7
  5. {qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/WHEEL +1 -1
  6. {qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/licenses/LICENSE +0 -0
  7. {qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/top_level.txt +0 -0
qrotor/_version.py CHANGED
@@ -10,5 +10,5 @@ https://semver.org/
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  """
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- __version__ = 'v4.0.0a1'
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+ __version__ = 'v4.0.0a2'
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qrotor/solve.py CHANGED
@@ -50,7 +50,7 @@ def energies(system:System, filename:str=None) -> System:
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  system = potential(system)
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  system = schrodinger(system)
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  if filename:
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- aton.st.file.save(system, filename)
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+ aton.file.save(system, filename)
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  return system
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{qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: qrotor
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- Version: 4.0.0a1
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+ Version: 4.0.0a2
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  Summary: QRotor
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  Author: Pablo Gila-Herranz
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  Author-email: pgila001@ikasle.ehu.eus
@@ -33,7 +33,7 @@ Dynamic: requires-dist
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  Dynamic: requires-python
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  Dynamic: summary
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- # QRotor
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+ <p align="center"><img width="40.0%" src="pics/qrotor.png"></p>
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  QRotor is a Python package used to study molecular rotations,
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  such as those of methyl and amine groups.
{qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/RECORD RENAMED
@@ -1,16 +1,16 @@
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  qrotor/__init__.py,sha256=rG2dH4QjsVUOMBhFnv5gXs3QnrUg7fywd5pIDmMBXcQ,246
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- qrotor/_version.py,sha256=rKPpeKIneHbTwnQYeOQrUmp3YuE0w_IV9QL3JTPKVh4,196
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+ qrotor/_version.py,sha256=g_T7BCLBKhDlltJhI3DGl-GbuywjuY69QwH4lAH7PxQ,196
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  qrotor/constants.py,sha256=q62GbUKy2aojQ_8epIfaJMP1Y_HrT9mVw_9zWhvdCKo,2734
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  qrotor/plot.py,sha256=xJbreSDIuBNBl71e5XzzVW2PBijgkVZTFl3Fe74hecU,13315
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  qrotor/potential.py,sha256=VpO0U9UXAfqQE8sdQymSyMfiHEnWluAFksLNJJQ2iB0,17801
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  qrotor/rotate.py,sha256=Wje9Q9SFhDvizz58MzNGBwsmgV-3wN9z2SnUNTIXzeg,8107
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- qrotor/solve.py,sha256=kR7xwIBYGazNR0VkFYjsfERlZe6mtweQRVacupycOIs,10727
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+ qrotor/solve.py,sha256=tnkE5JYT8wW85gNbOEMgHTnzOZCb8q5xPcJbDI4uOB0,10724
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  qrotor/system.py,sha256=onY3HfY2zpRLDJUjBJRX-nJu6YH_qhnPnCW6Uyam_Ws,11453
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  qrotor/systems.py,sha256=Hcx0QvMWpaPMfC6HWpkZPPWDyHk9rxWKdAxWNnD2NMg,8184
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- qrotor-4.0.0a1.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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+ qrotor-4.0.0a2.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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  tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  tests/test_qrotor.py,sha256=44uvE1AXMAtbUILA1gLeMi2__8quqcSyv1m3R1f4AP0,3462
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- qrotor-4.0.0a1.dist-info/METADATA,sha256=qB-zxEAuhlp4ZFr19Ziy1ynjNH_VBxNE0OabImYi5ak,5830
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- qrotor-4.0.0a1.dist-info/WHEEL,sha256=Nw36Djuh_5VDukK0H78QzOX-_FQEo6V37m3nkm96gtU,91
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- qrotor-4.0.0a1.dist-info/top_level.txt,sha256=mLnYs07-amqX4TqbDV2_XvgdpHfgrYmzmYb7dwoh6EQ,13
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- qrotor-4.0.0a1.dist-info/RECORD,,
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+ qrotor-4.0.0a2.dist-info/METADATA,sha256=6HJo-g8dHqGkEP9exNpFnfz_qYHASbewl07z03FxYxw,5885
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+ qrotor-4.0.0a2.dist-info/WHEEL,sha256=zaaOINJESkSfm_4HQVc5ssNzHCPXhJm0kEUakpsEHaU,91
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+ qrotor-4.0.0a2.dist-info/top_level.txt,sha256=mLnYs07-amqX4TqbDV2_XvgdpHfgrYmzmYb7dwoh6EQ,13
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+ qrotor-4.0.0a2.dist-info/RECORD,,
{qrotor-4.0.0a1.dist-info → qrotor-4.0.0a2.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: setuptools (80.7.1)
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+ Generator: setuptools (80.8.0)
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  Root-Is-Purelib: true
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  Tag: py3-none-any
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