qrotor 4.5.0__tar.gz → 4.5.1__tar.gz

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Files changed (26) hide show
  1. {qrotor-4.5.0 → qrotor-4.5.1}/PKG-INFO +1 -1
  2. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/_version.py +1 -1
  3. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/systems.py +11 -4
  4. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor.egg-info/PKG-INFO +1 -1
  5. {qrotor-4.5.0 → qrotor-4.5.1}/LICENSE +0 -0
  6. {qrotor-4.5.0 → qrotor-4.5.1}/README.md +0 -0
  7. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/__init__.py +0 -0
  8. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/constants.py +0 -0
  9. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/plot.py +0 -0
  10. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/potential.py +0 -0
  11. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/rotation.py +0 -0
  12. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/solve.py +0 -0
  13. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor/system.py +1 -1
  14. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor.egg-info/SOURCES.txt +0 -0
  15. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor.egg-info/dependency_links.txt +0 -0
  16. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor.egg-info/requires.txt +0 -0
  17. {qrotor-4.5.0 → qrotor-4.5.1}/qrotor.egg-info/top_level.txt +0 -0
  18. {qrotor-4.5.0 → qrotor-4.5.1}/setup.cfg +0 -0
  19. {qrotor-4.5.0 → qrotor-4.5.1}/setup.py +0 -0
  20. {qrotor-4.5.0 → qrotor-4.5.1}/tests/__init__.py +0 -0
  21. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_constants.py +0 -0
  22. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_potential.py +0 -0
  23. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_rotation.py +0 -0
  24. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_solve.py +0 -0
  25. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_system.py +0 -0
  26. {qrotor-4.5.0 → qrotor-4.5.1}/tests/test_systems.py +0 -0
{qrotor-4.5.0 → qrotor-4.5.1}/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: 4.5.0
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+ Version: 4.5.1
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  Summary: QRotor
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  Author: Pablo Gila-Herranz
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  Author-email: pgila001@ikasle.ehu.eus
{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/_version.py RENAMED
@@ -11,5 +11,5 @@ https://semver.org/
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  ---
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  """
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- __version__ = "v4.5.0"
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+ __version__ = "v4.5.1"
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/systems.py RENAMED
@@ -288,6 +288,7 @@ def summary(
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  """
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  print('--------------------')
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  systems = as_list(systems)
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+
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  for system in systems:
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  dictionary = system.summary()
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  if verbose:
@@ -299,10 +300,16 @@ def summary(
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  if len(system.eigenvalues) > 6:
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  eigenvalues = eigenvalues[:6]
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  extra = '...'
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- print('comment ' + str(system.comment))
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- print('B ' + str(system.B))
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- print('eigenvalues ' + str([float(round(e, 4)) for e in eigenvalues]) + extra)
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- print('version ' + str(system.version))
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+ print('comment ' + str(system.comment))
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+ print('ZPE ' + str(system.eigenvalues[0]))
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+ print('E activation ' + str(system.E_activation))
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+ print('V max ' + str(system.potential_max))
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+ print('1st splitting ' + str(system.splittings[0]))
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+ print('1st excitation ' + str(system.excitations[0]))
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+ print('B ' + str(system.B))
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+ print('eigenvalues ' + str([float(round(e, 4)) for e in eigenvalues]) + extra)
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+ print('tags ' + str(system.tags))
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+ print('version ' + str(system.version))
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  print('--------------------')
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  return None
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{qrotor-4.5.0 → qrotor-4.5.1}/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: 4.5.0
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+ Version: 4.5.1
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  Summary: QRotor
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  Author: Pablo Gila-Herranz
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  Author-email: pgila001@ikasle.ehu.eus
{qrotor-4.5.0 → qrotor-4.5.1}/LICENSE RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/README.md RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/__init__.py RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/constants.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/plot.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/potential.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/rotation.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/solve.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/qrotor/system.py RENAMED
@@ -212,10 +212,10 @@ class System:
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  return {
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  'version': self.version,
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  'comment': self.comment,
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+ 'tags': self.tags,
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  'searched_E': self.searched_E,
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  'correct_potential_offset': self.correct_potential_offset,
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  'save_eigenvectors': self.save_eigenvectors,
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- 'tags': self.tags,
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  'B': self.B,
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  'gridsize': self.gridsize,
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  'potential_name': self.potential_name,
{qrotor-4.5.0 → qrotor-4.5.1}/setup.cfg RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/setup.py RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/tests/__init__.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_constants.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_potential.py RENAMED
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{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_rotation.py RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_solve.py RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_system.py RENAMED
File without changes
{qrotor-4.5.0 → qrotor-4.5.1}/tests/test_systems.py RENAMED
File without changes