tanabesugano 1.4.1__py3-none-any.whl → 1.4.3__py3-none-any.whl

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Files changed (7) hide show
  1. tanabesugano/__init__.py +2 -1
  2. tanabesugano/cmd.py +1 -1
  3. {tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/METADATA +20 -10
  4. {tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/RECORD +7 -7
  5. {tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/WHEEL +1 -1
  6. {tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/LICENSE +0 -0
  7. {tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/entry_points.txt +0 -0
tanabesugano/__init__.py CHANGED
@@ -1 +1,2 @@
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- __version__ = "1.4.1"
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+ """tanabesugano: A Python package for Tanabe-Sugano diagrams."""
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+ __version__ = "1.4.3"
tanabesugano/cmd.py CHANGED
@@ -431,7 +431,7 @@ def cmd_line() -> None:
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  "-html",
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  action="store_true",
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  default=False,
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- help="Save TS-diagram and dd energies (default = on)",
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+ help="Save TS-diagram and dd energies (default = off)",
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  )
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  args = parser.parse_args()
{tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: tanabesugano
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- Version: 1.4.1
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+ Version: 1.4.3
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  Summary: A python-solver for Tanabe-Sugano and Energy-Correlation diagrams
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  Home-page: https://pypi.org/project/TanabeSugano
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  License: MIT
@@ -22,11 +22,8 @@ Classifier: Programming Language :: Python :: 3
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  Classifier: Programming Language :: Python :: 3.9
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  Classifier: Programming Language :: Python :: 3.10
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  Classifier: Programming Language :: Python :: 3.11
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- Classifier: Programming Language :: Python :: 3
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- Classifier: Programming Language :: Python :: 3.10
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- Classifier: Programming Language :: Python :: 3.11
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+ Classifier: Programming Language :: Python :: 3.12
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  Classifier: Programming Language :: Python :: 3.8
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- Classifier: Programming Language :: Python :: 3.9
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  Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Classifier: Topic :: Scientific/Engineering :: Physics
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  Classifier: Topic :: Scientific/Engineering :: Visualization
@@ -35,19 +32,23 @@ Classifier: Topic :: Utilities
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  Provides-Extra: plotly
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  Requires-Dist: matplotlib (>=3.4.2,<4.0.0)
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  Requires-Dist: numpy (>=1.20.3,<2.0.0)
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- Requires-Dist: pandas (>=1.2.4,<2.0.0)
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+ Requires-Dist: pandas (>=1.2.4,<3.0.0)
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  Requires-Dist: plotly (>=5.13.1,<6.0.0) ; extra == "plotly"
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- Requires-Dist: prettytable (>=2.1.0,<3.0.0)
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+ Requires-Dist: prettytable (>=2.1,<4.0)
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  Project-URL: Repository, https://github.com/Anselmoo/TanabeSugano
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  Description-Content-Type: text/markdown
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- [![Python package](https://github.com/Anselmoo/TanabeSugano/workflows/Python%20package/badge.svg)](https://github.com/Anselmoo/TanabeSugano/actions?query=workflow%3A%22Python+package%22)
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+ [![Python Package](https://github.com/Anselmoo/TanabeSugano/actions/workflows/python-package.yml/badge.svg)](https://github.com/Anselmoo/TanabeSugano/actions/workflows/python-package.yml)
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+ [![Poetry](https://img.shields.io/endpoint?url=https://python-poetry.org/badge/v0.json)](https://python-poetry.org/)
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  [![CodeFactor](https://www.codefactor.io/repository/github/anselmoo/tanabesugano/badge)](https://www.codefactor.io/repository/github/anselmoo/tanabesugano)
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4430571.svg)](https://doi.org/10.5281/zenodo.4430571)
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+ [![DOI](https://zenodo.org/badge/206847682.svg)](https://zenodo.org/badge/latestdoi/206847682)
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  [![GitHub](https://img.shields.io/github/license/Anselmoo/TanabeSugano)](https://github.com/Anselmoo/TanabeSugano/blob/master/LICENSE)
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  [![GitHub release (latest by date including pre-releases)](https://img.shields.io/github/v/release/Anselmoo/TanabeSugano?include_prereleases)](https://github.com/Anselmoo/TanabeSugano/releases)
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  [![PyPI](https://img.shields.io/pypi/v/TanabeSugano?logo=Pypi&logoColor=yellow)](https://pypi.org/project/TanabeSugano/)
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  [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/TanabeSugano?logo=Python&logoColor=yellow)](https://pypi.org/project/TanabeSugano/)
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+ [![Downloads](https://static.pepy.tech/badge/tanabesugano)](https://pepy.tech/project/tanabesugano)
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+ [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Anselmoo/TanabeSugano/blob/master/Tanabe_Sugano.ipynb)
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+
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  # TanabeSugano
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  A python-based Eigensolver for Tanabe-Sugano- & Energy-Correlation-Diagrams based on the original three proposed studies of *Yukito Tanabe and Satoru Sugano* for d<sup>2</sup>-d<sup>8</sup> transition metal ions:
@@ -123,6 +124,15 @@ The options for the **TanabeSugano**-application are:
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  -html Save TS-diagram and dd energies (default = on)
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  ```
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- **Reference-Example** for d<sup>6</sup> for *B = 860 cm<sup>-</sup>* and *C = 3850 cm<sup>-</sup>*:
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+ **Reference-Example** for d<sup>6</sup> for *B = 860 cm<sup>-</sup>* and *C = 3850 cm<sup>-</sup>* as regular `matplotlib`-plot:
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  ![placeholder](https://github.com/Anselmoo/TanabeSugano/blob/master/examples/dd-diagram_for_d6.png?raw=true)
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+
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+ **Reference-Example** for d<sup>6</sup> for *F<sup>2</sup> = 1065 cm<sup>-</sup>* and *F<sup>4</sup> = 5120 cm<sup>-</sup>* as interactive `plotly`-plot:
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+
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+ ![placeholder](https://github.com/Anselmoo/TanabeSugano/blob/master/examples/d6_ts_interactive.gif?raw=true)
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+
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+ ## Test the TS-diagrams interactively in Google Colab
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+
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+ [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Anselmoo/TanabeSugano/blob/master/Tanabe_Sugano.ipynb)
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+
{tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/RECORD RENAMED
@@ -1,15 +1,15 @@
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  LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
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- tanabesugano/__init__.py,sha256=BqOI5y46o1G1RWC9bF1DPL-YM68lGYPmZt1pn6FZFZs,22
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+ tanabesugano/__init__.py,sha256=tHDi5taJmHGH1dh-V4wAyjsxfQ29o3WP_VW9HPjAyuM,87
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  tanabesugano/batch.py,sha256=ECc8kIHt3lyBCBmh_lAEpa3L_T1v_2U70vJ7lxf7-EU,5626
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- tanabesugano/cmd.py,sha256=260PxR8KbaUpf_77g4OCPFxqYKynhR87idUgsZmSd-I,14151
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+ tanabesugano/cmd.py,sha256=3FUvmfJ5UGPsJy4s-vssdrQ-TojAQzCh2WrmRcNVfcw,14152
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  tanabesugano/matrices.py,sha256=xyuQkvd1x_69nbbKWnEVmOgQ4UOZg0mTpBoVG9fcFRo,48709
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  tanabesugano/test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  tanabesugano/test/test_batch.py,sha256=TBJ90ns82XoPrC6mDM2fZuJiw8bEzoxaim1EUJEv_Ec,927
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  tanabesugano/test/test_front.py,sha256=9dmDHidgXCHHTnG7Mss6qp2qpyr2E3l8qXNUlw6doow,318
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  tanabesugano/test/test_num.py,sha256=KXNF6yJWQEv1uIc0RAfQ2MqeRwf-CHfaTH-fFhS-d2M,891
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  tanabesugano/tools.py,sha256=m0D5IZ6XGyjNVziLL7fCQgtMtWSq1m4_XURJjmzGBkU,798
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- tanabesugano-1.4.1.dist-info/LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
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- tanabesugano-1.4.1.dist-info/METADATA,sha256=DIW-y_tuR2GzFSojiJvFUSOwPROIdpQx2C3G6UkfiU4,6019
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- tanabesugano-1.4.1.dist-info/WHEEL,sha256=7Z8_27uaHI_UZAc4Uox4PpBhQ9Y5_modZXWMxtUi4NU,88
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- tanabesugano-1.4.1.dist-info/entry_points.txt,sha256=xcm1HBKYnpfhfLPKBj_8wENPGviAy0_yx1RCrNcvOV4,58
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- tanabesugano-1.4.1.dist-info/RECORD,,
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+ tanabesugano-1.4.3.dist-info/LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
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+ tanabesugano-1.4.3.dist-info/METADATA,sha256=1T-kpKfsU6FV67pQoO5N3Hx55ZcyAg97NI0aXKw5yiQ,6771
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+ tanabesugano-1.4.3.dist-info/WHEEL,sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4,88
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+ tanabesugano-1.4.3.dist-info/entry_points.txt,sha256=xcm1HBKYnpfhfLPKBj_8wENPGviAy0_yx1RCrNcvOV4,58
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+ tanabesugano-1.4.3.dist-info/RECORD,,
{tanabesugano-1.4.1.dist-info → tanabesugano-1.4.3.dist-info}/WHEEL RENAMED
@@ -1,4 +1,4 @@
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  Wheel-Version: 1.0
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- Generator: poetry-core 1.5.2
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+ Generator: poetry-core 1.8.1
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  Root-Is-Purelib: true
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  Tag: py3-none-any