qrotor 4.5.0__py3-none-any.whl → 4.5.1__py3-none-any.whl

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Files changed (8) hide show
  1. qrotor/_version.py +1 -1
  2. qrotor/system.py +1 -1
  3. qrotor/systems.py +11 -4
  4. {qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/METADATA +1 -1
  5. {qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/RECORD +8 -8
  6. {qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/WHEEL +0 -0
  7. {qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/licenses/LICENSE +0 -0
  8. {qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/top_level.txt +0 -0
qrotor/_version.py CHANGED
@@ -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/system.py CHANGED
@@ -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/systems.py CHANGED
@@ -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.dist-info → qrotor-4.5.1.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: 4.5.0
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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.dist-info → qrotor-4.5.1.dist-info}/RECORD RENAMED
@@ -1,13 +1,13 @@
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  qrotor/__init__.py,sha256=FgB2-SglHK-hAzjctoVqzJSBA1rLBQH2nv0o3LWuh5A,248
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- qrotor/_version.py,sha256=TtdvqIyM9prSdLh_gm1u2NzWAHa0f2sK482XiKtEmyo,198
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+ qrotor/_version.py,sha256=wkrb4M-n9WOwWsoukOo63VpjZSaomNKHz1UD8XiFrTM,198
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  qrotor/constants.py,sha256=YRri136Zg5dqqDS-180sxOB5ytBJW74msUbHYbrfiMc,6655
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  qrotor/plot.py,sha256=iJWHohW8hvKGRUjoqLYyQXweqrahF0XOIyyhDJ05_bI,14171
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  qrotor/potential.py,sha256=n6izUMbl2okMSg7xj_IV6rDr2B-RCWiqtSBcsTltL1M,18564
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  qrotor/rotation.py,sha256=4pXcIcb6fY44haRB6HWGLqC0la1V91Tr3NW4DrUNTkw,8115
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  qrotor/solve.py,sha256=YkOR1SJlpk41PCNEhslv6X3wV1TWMNztT78qX3Pngf0,10722
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- qrotor/system.py,sha256=NQ7fcSo2R1QY1D0k9ymjJT9i9BSvuAOE7zqt5NJxFCQ,9946
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- qrotor/systems.py,sha256=KbeaomvMcmQluJW2VMzQounu4qB42_jX2CU0ablDNCI,12389
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- qrotor-4.5.0.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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+ qrotor/system.py,sha256=i2EP3egJFwLFL6570abHzR3Hhl0KiAu6vp2jmohlbPE,9946
9
+ qrotor/systems.py,sha256=dk-4PqQI8G5CgZamP5zaNv3_hNPgBE2qjT4bJnlE9aM,12798
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+ qrotor-4.5.1.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_constants.py,sha256=YHKkPyZlzjchxxzON_VSNsQdKnpkknsFVoIA6TcUk70,399
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  tests/test_potential.py,sha256=_Vq9t9Xm59kNbyYwXlRnvKcxwL7vntD2j14W2aUtF6I,1302
@@ -15,7 +15,7 @@ tests/test_rotation.py,sha256=qW6HQHdPNteN6qZ5blVoTSQINU8m9wn8hTcOszrdulE,1898
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  tests/test_solve.py,sha256=tEjLUZC7oe6LCQD5b2xf2aaK9lu-zI4lzuPXOGR2GAs,861
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  tests/test_system.py,sha256=36d-8AdoJdzq0O9_O3s8wwBPGa-M7A86YiHqhhAsCZ8,742
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  tests/test_systems.py,sha256=wKaBDaF2QIvJAux5tsuFecp8oGx4LGNhWVJaCxNlb4g,1440
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- qrotor-4.5.0.dist-info/METADATA,sha256=z96837SiDPa-FoSfs3rGVYQMvT3f_Hp3h_oqpFmzgRA,9648
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- qrotor-4.5.0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- qrotor-4.5.0.dist-info/top_level.txt,sha256=mLnYs07-amqX4TqbDV2_XvgdpHfgrYmzmYb7dwoh6EQ,13
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- qrotor-4.5.0.dist-info/RECORD,,
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+ qrotor-4.5.1.dist-info/METADATA,sha256=yMS6pryPOv0uUBrhghJWPMTw4ISb48YoxZUdDx2bJFc,9648
19
+ qrotor-4.5.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ qrotor-4.5.1.dist-info/top_level.txt,sha256=mLnYs07-amqX4TqbDV2_XvgdpHfgrYmzmYb7dwoh6EQ,13
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+ qrotor-4.5.1.dist-info/RECORD,,
{qrotor-4.5.0.dist-info → qrotor-4.5.1.dist-info}/WHEEL RENAMED
File without changes