qrotor 4.0.0a1__tar.gz → 4.0.0a2__tar.gz

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Files changed (21) hide show
  1. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/PKG-INFO +2 -2
  2. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/README.md +1 -1
  3. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/_version.py +1 -1
  4. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/solve.py +1 -1
  5. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor.egg-info/PKG-INFO +2 -2
  6. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/LICENSE +0 -0
  7. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/__init__.py +0 -0
  8. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/constants.py +0 -0
  9. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/plot.py +0 -0
  10. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/potential.py +0 -0
  11. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/rotate.py +0 -0
  12. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/system.py +0 -0
  13. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/systems.py +0 -0
  14. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor.egg-info/SOURCES.txt +0 -0
  15. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor.egg-info/dependency_links.txt +0 -0
  16. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor.egg-info/requires.txt +0 -0
  17. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor.egg-info/top_level.txt +0 -0
  18. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/setup.cfg +0 -0
  19. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/setup.py +0 -0
  20. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/tests/__init__.py +0 -0
  21. {qrotor-4.0.0a1 → qrotor-4.0.0a2}/tests/test_qrotor.py +0 -0
{qrotor-4.0.0a1 → qrotor-4.0.0a2}/PKG-INFO 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 → qrotor-4.0.0a2}/README.md RENAMED
@@ -1,4 +1,4 @@
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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 → qrotor-4.0.0a2}/qrotor/_version.py RENAMED
@@ -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-4.0.0a1 → qrotor-4.0.0a2}/qrotor/solve.py RENAMED
@@ -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 → qrotor-4.0.0a2}/qrotor.egg-info/PKG-INFO 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 → qrotor-4.0.0a2}/LICENSE RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/__init__.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/constants.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/plot.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/potential.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/rotate.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/system.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/qrotor/systems.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/setup.cfg RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/setup.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/tests/__init__.py RENAMED
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{qrotor-4.0.0a1 → qrotor-4.0.0a2}/tests/test_qrotor.py RENAMED
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