xarpes 0.5.0__tar.gz → 0.6.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (60) hide show
  1. {xarpes-0.5.0 → xarpes-0.6.0}/.gitignore +1 -1
  2. {xarpes-0.5.0 → xarpes-0.6.0}/PKG-INFO +10 -5
  3. {xarpes-0.5.0 → xarpes-0.6.0}/README.md +8 -3
  4. {xarpes-0.5.0 → xarpes-0.6.0}/doc/index.rst +2 -1
  5. xarpes-0.6.0/doc/modules/selfenergies.rst +5 -0
  6. xarpes-0.6.0/doc/notebooks/graphene.ipynb +993 -0
  7. xarpes-0.6.0/doc/notebooks/srtio3.ipynb +1121 -0
  8. xarpes-0.6.0/doc/notebooks/verification.ipynb +1567 -0
  9. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/graphene.Rmd +116 -23
  10. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/graphene.py +104 -23
  11. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/srtio3.Rmd +102 -1
  12. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/srtio3.py +85 -1
  13. xarpes-0.6.0/examples/verification/data_sets/verification_angles.npy +0 -0
  14. xarpes-0.6.0/examples/verification/data_sets/verification_intensities.npy +0 -0
  15. xarpes-0.6.0/examples/verification/data_sets/verification_kinergies.npy +0 -0
  16. xarpes-0.6.0/examples/verification/verification.Rmd +186 -0
  17. xarpes-0.6.0/examples/verification/verification.py +142 -0
  18. {xarpes-0.5.0 → xarpes-0.6.0}/pyproject.toml +1 -1
  19. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/__init__.py +1 -1
  20. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/bandmap.py +93 -25
  21. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/functions.py +239 -11
  22. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/mdcs.py +49 -6
  23. xarpes-0.6.0/xarpes/selfenergies.py +1816 -0
  24. xarpes-0.6.0/xarpes/settings_parameters.py +75 -0
  25. xarpes-0.5.0/doc/modules/selfenergies.rst +0 -5
  26. xarpes-0.5.0/doc/notebooks/graphene.ipynb +0 -584
  27. xarpes-0.5.0/doc/notebooks/srtio3.ipynb +0 -513
  28. xarpes-0.5.0/xarpes/selfenergies.py +0 -621
  29. xarpes-0.5.0/xarpes/settings_parameters.py +0 -30
  30. {xarpes-0.5.0 → xarpes-0.6.0}/.readthedocs.yaml +0 -0
  31. {xarpes-0.5.0 → xarpes-0.6.0}/LICENSE +0 -0
  32. {xarpes-0.5.0 → xarpes-0.6.0}/dev_tools/Rmd2ipynb.py +0 -0
  33. {xarpes-0.5.0 → xarpes-0.6.0}/dev_tools/ipynb2Rmd2py.py +0 -0
  34. {xarpes-0.5.0 → xarpes-0.6.0}/doc/Makefile +0 -0
  35. {xarpes-0.5.0 → xarpes-0.6.0}/doc/README.md +0 -0
  36. {xarpes-0.5.0 → xarpes-0.6.0}/doc/_static/xarpes_small.svg +0 -0
  37. {xarpes-0.5.0 → xarpes-0.6.0}/doc/conf.py +0 -0
  38. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/bandmap.rst +0 -0
  39. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/distributions.rst +0 -0
  40. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/functions.rst +0 -0
  41. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/mdcs.rst +0 -0
  42. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/plotting.rst +0 -0
  43. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/settings_parameters.rst +0 -0
  44. {xarpes-0.5.0 → xarpes-0.6.0}/doc/modules/settings_plots.rst +0 -0
  45. {xarpes-0.5.0 → xarpes-0.6.0}/doc/requirements.txt +0 -0
  46. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/data_sets/graphene_152.ibw +0 -0
  47. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/data_sets/graphene_152_angles.npy +0 -0
  48. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/data_sets/graphene_152_ekin.npy +0 -0
  49. {xarpes-0.5.0 → xarpes-0.6.0}/examples/graphene/data_sets/graphene_152_intensities.npy +0 -0
  50. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/data_sets/STO_2_0010STO_2_.ibw +0 -0
  51. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/data_sets/STO_2_0010STO_2_angles.npy +0 -0
  52. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/data_sets/STO_2_0010STO_2_ekin.npy +0 -0
  53. {xarpes-0.5.0 → xarpes-0.6.0}/examples/srtio3/data_sets/STO_2_0010STO_2_intensities.npy +0 -0
  54. {xarpes-0.5.0 → xarpes-0.6.0}/logo/Makefile +0 -0
  55. {xarpes-0.5.0 → xarpes-0.6.0}/logo/exubi.svg +0 -0
  56. {xarpes-0.5.0 → xarpes-0.6.0}/logo/xarpes.svg +0 -0
  57. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/constants.py +0 -0
  58. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/distributions.py +0 -0
  59. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/plotting.py +0 -0
  60. {xarpes-0.5.0 → xarpes-0.6.0}/xarpes/settings_plots.py +0 -0
@@ -180,4 +180,4 @@ cython_debug/
180
180
  # Ignore conversion scripts if placed in examples folder
181
181
  examples/Rmd2ipynb.py
182
182
  examples/ipynb2Rmd2py.py
183
- examples/Rmd2py.py
183
+ examples/Rmd2py.py
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: xarpes
3
- Version: 0.5.0
3
+ Version: 0.6.0
4
4
  Summary: Extraction from angle resolved photoemission spectra
5
5
  Author: xARPES Developers
6
6
  Requires-Python: >=3.7.0
@@ -10,7 +10,7 @@ Classifier: Programming Language :: Python :: 3
10
10
  Requires-Dist: igor2>=0.5.8
11
11
  Requires-Dist: jupyterlab
12
12
  Requires-Dist: jupytext
13
- Requires-Dist: matplotlib
13
+ Requires-Dist: matplotlib<3.10.0
14
14
  Requires-Dist: numpy
15
15
  Requires-Dist: scipy
16
16
  Requires-Dist: lmfit
@@ -92,7 +92,7 @@ Answer `y` to questions. Create and activate a new environment:
92
92
  conda create -n <my_env> -c conda-forge
93
93
  conda activate <my_env>
94
94
 
95
- Where `<my_env>` must be replaced by your desired name. Package compatibility ssues may arise if conda installs from different channels. This can be prevented by appending `--strict-channel-priority` to the creation command.
95
+ Where `<my_env>` must be replaced by your desired name. Package compatibility issues may arise if conda installs from different channels. This can be prevented by appending `--strict-channel-priority` to the creation command.
96
96
 
97
97
  ### Installing xARPES
98
98
 
@@ -149,12 +149,17 @@ Then perform editable installation:
149
149
 
150
150
  # Examples
151
151
 
152
- After installation of xARPES, the `examples/` folder can be downloaded to the current directory:
152
+ After installation of xARPES, the `examples/` folder can be downloaded from the terminal into the current directory:
153
153
 
154
- python -c "import xarpes; xarpes.download_examples()"
154
+ xarpes_download_examples
155
155
 
156
156
  This attempts to download the examples from the version corresponding encountered in `__init__.py`. If no corresponding tagged version can be downloaded, the code attempts to download the latest examples instead.
157
157
 
158
+ The examples can also be installed by executing `.py`or `.ipynb` executable files containing the following:
159
+
160
+ import xarpes
161
+ xarpes.download_examples()
162
+
158
163
  # Execution
159
164
 
160
165
  It is recommended to use JupyterLab to analyse data. JupyterLab is launched using:
@@ -70,7 +70,7 @@ Answer `y` to questions. Create and activate a new environment:
70
70
  conda create -n <my_env> -c conda-forge
71
71
  conda activate <my_env>
72
72
 
73
- Where `<my_env>` must be replaced by your desired name. Package compatibility ssues may arise if conda installs from different channels. This can be prevented by appending `--strict-channel-priority` to the creation command.
73
+ Where `<my_env>` must be replaced by your desired name. Package compatibility issues may arise if conda installs from different channels. This can be prevented by appending `--strict-channel-priority` to the creation command.
74
74
 
75
75
  ### Installing xARPES
76
76
 
@@ -127,12 +127,17 @@ Then perform editable installation:
127
127
 
128
128
  # Examples
129
129
 
130
- After installation of xARPES, the `examples/` folder can be downloaded to the current directory:
130
+ After installation of xARPES, the `examples/` folder can be downloaded from the terminal into the current directory:
131
131
 
132
- python -c "import xarpes; xarpes.download_examples()"
132
+ xarpes_download_examples
133
133
 
134
134
  This attempts to download the examples from the version corresponding encountered in `__init__.py`. If no corresponding tagged version can be downloaded, the code attempts to download the latest examples instead.
135
135
 
136
+ The examples can also be installed by executing `.py`or `.ipynb` executable files containing the following:
137
+
138
+ import xarpes
139
+ xarpes.download_examples()
140
+
136
141
  # Execution
137
142
 
138
143
  It is recommended to use JupyterLab to analyse data. JupyterLab is launched using:
@@ -18,8 +18,9 @@
18
18
  :caption: Tutorials
19
19
  :hidden:
20
20
 
21
- notebooks/graphene
21
+ notebooks/verification
22
22
  notebooks/srtio3
23
+ notebooks/graphene
23
24
 
24
25
  .. toctree::
25
26
  :caption: More
@@ -0,0 +1,5 @@
1
+ SelfEnergies
2
+ ============
3
+
4
+ .. automodule:: xarpes.selfenergies
5
+ :members: