Dominik Demuth
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a1691f11a6
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remove leading space in ascii preview, because some dimwit wants to use spaces in the beginning of his files...
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2023-11-07 17:07:47 +01:00 |
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Dominik Demuth
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f956c111c2
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regex for numeric value for data from text files; closes #127
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2023-11-05 17:23:51 +01:00 |
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Dominik Demuth
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cb2bc78a2a
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work on edit signals
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2023-11-05 15:25:31 +01:00 |
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Dominik Demuth
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9e9751cd9d
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add log to edit signal
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2023-11-05 15:21:19 +01:00 |
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Dominik Demuth
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5a8ef8c9c7
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change wording for delete previous fit in fitresult
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2023-11-05 15:17:59 +01:00 |
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45f5eb9bef
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Update src/gui_qt/data/container.py
phase correction should be done when users wants it; closes #129
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2023-11-02 13:05:18 +00:00 |
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Dominik Demuth
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5116622e42
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fixed fit parameter ignore boundary problems; fixes #128
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2023-11-01 18:33:52 +01:00 |
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Dominik Demuth
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661ab81d7e
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fix edit dialog for spectra
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2023-10-31 19:12:02 +01:00 |
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Dominik Demuth
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185dd160f1
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fix import of agr with missing legends
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2023-10-30 19:34:18 +01:00 |
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Dominik Demuth
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7fe564a61e
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more interactive edit
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2023-10-25 20:04:49 +02:00 |
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Dominik Demuth
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6339bdc2cc
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escape backslashes in fit function equation
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2023-10-17 18:16:31 +02:00 |
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Dominik Demuth
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37a6d789bb
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increase precision in log-gaussian integration
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2023-10-02 12:31:40 +02:00 |
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Dominik Demuth
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cde794cb0d
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parabola on a log-scale added
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2023-09-28 17:55:25 +02:00 |
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Dominik Demuth
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2a69147ed4
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remove slot reference in parameter.get_state; fixes #125
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2023-09-28 15:43:55 +02:00 |
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Dominik Demuth
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902a35b71a
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check if Default.agr knows what a graph is; helps with #124
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2023-09-27 18:06:53 +02:00 |
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Dominik Demuth
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6f76349932
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Merge branch 'fit_bounds'
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2023-09-27 15:39:23 +02:00 |
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Dominik Demuth
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f9bb466cb3
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fix data look-up for multiple fit models
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2023-09-27 15:38:55 +02:00 |
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Dominik Demuth
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a97c31325f
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1/p bounds in ui
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2023-09-27 15:32:19 +02:00 |
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Dominik Demuth
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207ee5bffd
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1/p bounds added
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2023-09-27 13:55:37 +02:00 |
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Dominik Demuth
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0046d04683
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improve performance building data tree
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2023-09-19 17:22:59 +02:00 |
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Dominik Demuth
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9463ed1e6c
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improve performance for show/hide graphs
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2023-09-19 17:05:06 +02:00 |
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Dominik Demuth
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ea62a05bd3
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improve performance for show/hide graphs
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2023-09-19 16:32:54 +02:00 |
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Dominik Demuth
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c5706084bf
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fixing merge problems
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2023-09-19 12:48:12 +02:00 |
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Dominik Demuth
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04037d6b4d
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Merge branch 'fit_constraints'
# Conflicts:
# src/gui_qt/main/management.py
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2023-09-19 12:39:32 +02:00 |
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Dominik Demuth
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dedb130163
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make final fit parameter values
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2023-09-19 12:35:24 +02:00 |
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Dominik Demuth
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6ecc4a4126
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make final fit parameter values
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2023-09-19 12:34:44 +02:00 |
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Dominik Demuth
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067857eda2
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minor fixes
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2023-09-19 12:22:33 +02:00 |
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Dominik Demuth
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41d90bb15f
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minor fixes
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2023-09-19 11:33:52 +02:00 |
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Dominik Demuth
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8d994bb9b4
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fixed preview
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2023-09-18 17:39:31 +02:00 |
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Dominik Demuth
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2cbc7e8d75
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more detailed error message in fit preparation
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2023-09-18 16:08:42 +02:00 |
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Dominik Demuth
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1d22f22901
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Parameter in preview
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2023-09-18 15:30:06 +02:00 |
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Dominik Demuth
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bd1a227e4c
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use Parameter when collecting fit values
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2023-09-18 13:52:10 +02:00 |
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Dominik Demuth
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03d172bade
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use Parameter when collecting fit values
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2023-09-18 11:43:28 +02:00 |
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Dominik Demuth
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e51a02d277
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improvement of t1 calc
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2023-09-16 17:42:59 +02:00 |
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Dominik Demuth
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3af5cb0301
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add todos
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2023-09-16 14:16:45 +02:00 |
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Dominik Demuth
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22f317da8d
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remove wonky path variable from graph export to use last directory instead; closes #121
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2023-09-13 17:25:53 +02:00 |
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Dominik Demuth
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24b56cbd2a
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calc_relaxation: create copy of x to avoid unintended overwrite
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2023-09-13 17:16:57 +02:00 |
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5fd52a1a44
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Update src/nmreval/distributions/loggaussian.py
fix typo; closes #119
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2023-09-12 07:07:36 +00:00 |
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Dominik Demuth
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d8e5de6b7a
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T1+T2 calculation now always iterates over all args that can be from data
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2023-09-11 19:50:58 +02:00 |
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Dominik Demuth
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869901596b
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Merge branch 'main' into fit_constraints
# Conflicts:
# src/gui_qt/fit/fit_forms.py
# src/gui_qt/main/management.py
# src/nmreval/fit/minimizer.py
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2023-09-11 18:18:30 +02:00 |
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Dominik Demuth
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e4dbaf2b91
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work on ui
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2023-09-11 18:09:08 +02:00 |
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Dominik Demuth
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dee1271fe1
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add action to context menu to replace single set fit parameter with general fit parameter
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2023-09-08 18:59:14 +02:00 |
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Dominik Demuth
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b8bab2af7b
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fixed LG+CC spectral density calculation for omega=0; closes #118
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2023-09-08 18:10:19 +02:00 |
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Dominik Demuth
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a406908a69
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catch errors in fit preparation
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2023-09-07 19:52:53 +02:00 |
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Dominik Demuth
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5e55f06723
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add completer to general fit linedit
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2023-09-07 19:30:10 +02:00 |
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Dominik Demuth
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e2e52cebde
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fixed overwrite of weight option for deltay, resulted in invalid weights; closes #117
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2023-09-07 17:48:49 +02:00 |
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Dominik Demuth
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53c58b2bbb
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disable validators
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2023-09-06 17:45:57 +02:00 |
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4e865cd0c6
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Update src/gui_qt/nmr/t1_from_tau.py
Add Log-Gaussian to T1 calculation; closes #116
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2023-09-06 10:20:22 +00:00 |
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Dominik Demuth
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311157a01a
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fix parameter setting after fitting multiple models
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2023-09-03 20:17:07 +02:00 |
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Dominik Demuth
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f0ee2073ad
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fixed wrong order for nested fit functions; swapped exchange rates in Peschier model
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2023-08-31 19:34:13 +02:00 |
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Dominik Demuth
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d2e63a5ee3
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refactor odr
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2023-08-29 19:44:09 +02:00 |
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Dominik Demuth
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5a153585ee
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write error for global fits
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2023-08-29 19:11:56 +02:00 |
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Dominik Demuth
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d17d0f251e
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work on linked models
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2023-08-26 20:08:13 +02:00 |
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Dominik Demuth
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0b8f4932b2
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seems mostly to be working
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2023-08-25 18:46:36 +02:00 |
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Dominik Demuth
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5d43ccb05d
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fit with global parameter
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2023-08-24 16:19:09 +02:00 |
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Dominik Demuth
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88a32ea7fd
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multiple single fits working
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2023-08-15 18:44:08 +02:00 |
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Dominik Demuth
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7febe55929
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order of fits correspond order in graph, fit result window has correct order, see #109
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2023-08-07 18:42:10 +02:00 |
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Dominik Demuth
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783fe505ba
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better check for valid class and argument names in fit function creation
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2023-08-06 16:41:22 +02:00 |
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Dominik Demuth
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2fed4bb0bf
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fit creation dialog uses option name for kwargs
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2023-08-05 17:53:24 +02:00 |
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Dominik Demuth
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ec8fafcc9c
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correct type for linenumbers in codeeditor
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2023-08-05 15:31:17 +02:00 |
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Dominik Demuth
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7762758958
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save original expression
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2023-08-04 17:58:48 +02:00 |
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Dominik Demuth
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e612c607e2
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Merge remote-tracking branch 'origin/master'
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2023-08-01 19:59:16 +02:00 |
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Dominik Demuth
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b27d9b55ff
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subclass every PlotWidget because logtickvalues
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2023-08-01 19:47:55 +02:00 |
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Dominik Demuth
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3475650899
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signal b/w change in graph was not connected
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2023-08-01 18:06:33 +02:00 |
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Dominik Demuth
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0eca306ebe
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assert that log scale is finite
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2023-08-01 18:00:23 +02:00 |
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d7eaff5f0b
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functioning apply button for tau calculation, part of #109
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2023-08-01 06:54:35 +00:00 |
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Dominik Demuth
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a5216b1eed
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constrain legend rect to be fully inside viewbox; simplest solution to fix #113
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2023-07-31 20:17:31 +02:00 |
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cf1565f7d3
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use symbol for length 1 data in shift/scale; fixes #112
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2023-07-31 11:48:57 +00:00 |
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Dominik Demuth
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c601e77cec
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fit with expression works with single fit
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2023-07-30 19:34:59 +02:00 |
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Dominik Demuth
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63f4f82228
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remove spurious print
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2023-07-30 18:10:14 +02:00 |
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Dominik Demuth
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bae7ee2db6
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list of active sets uses actual order instead order they were displayed; closes #111
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2023-07-30 16:18:18 +02:00 |
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Dominik Demuth
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dde7b7006d
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overwrite logTickValues of AaxisItem to avoid to many minor ticks; maybe closes #110
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2023-07-29 21:25:22 +02:00 |
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Dominik Demuth
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141e9f810a
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convert removes agr controls
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2023-07-29 21:22:12 +02:00 |
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Dominik Demuth
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b6136bc8ce
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subclass QTableWidget for change multiple checkstates
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2023-07-29 21:22:12 +02:00 |
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Dominik Demuth
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7762e299e4
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manually setting graph limits when log-scaling to reduce memory usages;
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2023-07-29 21:22:10 +02:00 |
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Dominik Demuth
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ca130eaa14
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eval parameter
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2023-07-27 18:58:22 +02:00 |
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Dominik Demuth
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2b2c6e932d
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set lower bound of FC and BDS KWW to 0.1
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2023-07-25 17:31:42 +02:00 |
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Dominik Demuth
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402994e09b
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remove parameter limit; closes #106
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2023-07-25 17:23:25 +02:00 |
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Dominik Demuth
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7a50028202
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add namespace to parameter
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2023-07-24 20:12:55 +02:00 |
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Dominik Demuth
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becc1a15a9
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move shift/scale to container; closes #102
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2023-07-24 17:38:55 +02:00 |
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13e6112c99
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overwrite error in interpolation; avoid mismatch in length
part of #103
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2023-07-24 11:08:42 +00:00 |
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Dominik Demuth
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1ff462c4b1
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remove duplicate call of t1 calculate and t1 interpolation
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2023-07-21 19:53:08 +02:00 |
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0cf5d7eef9
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remove log(y) weight option from fit
close #101
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2023-07-20 07:27:33 +00:00 |
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Dominik Demuth
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609f135855
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correcter preview for text files with mixed delimiters
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2023-07-19 19:09:42 +02:00 |
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Dominik Demuth
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5db6a9f2c5
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add HN model with independent slopes
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2023-07-19 18:36:13 +02:00 |
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Dominik Demuth
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3149a3f958
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setRegion of RegionItem with option to account for log mode
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2023-07-17 19:19:38 +02:00 |
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Dominik Demuth
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3321d85203
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set integration limits via keyboard; closes #50
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2023-07-13 19:51:19 +02:00 |
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Dominik Demuth
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76cd4acfb0
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add flag for partial fits; closes #83
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2023-07-12 20:48:28 +02:00 |
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Dominik Demuth
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33afc2ca94
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active graph is unchanged after pick position is applied; closes #89
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2023-07-12 19:05:17 +02:00 |
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Dominik Demuth
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ac039c1b6d
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higher zValues for borders of RegionItem to move overlapping RegionItems
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2023-07-12 18:31:29 +02:00 |
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Dominik Demuth
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ef21d7c7f2
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use time for interpolation pf empty dsc reference to avoid infs
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2023-07-11 20:31:21 +02:00 |
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Dominik Demuth
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3ed7368bb0
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fix even savgol window length manuallz
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2023-07-11 18:06:17 +02:00 |
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Dominik Demuth
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fbf4246c7e
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bugfix eval expression; closes #83
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2023-07-09 19:45:26 +02:00 |
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Dominik Demuth
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91afe8224f
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numerical values of data as tooltip; closes #90
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2023-07-08 19:55:20 +02:00 |
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Dominik Demuth
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ead9751541
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tg dialog clean-up
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2023-07-06 20:05:10 +02:00 |
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Dominik Demuth
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1d9b641f0a
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closing Tg dialog is no longer export
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2023-07-05 20:06:56 +02:00 |
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Dominik Demuth
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46ca50845b
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Merge branch 'dsc'
# Conflicts:
# src/gui_qt/_py/basewindow.py
# src/gui_qt/_py/tnmh_dialog.py
# src/gui_qt/dsc/glass_dialog.py
# src/gui_qt/main/mainwindow.py
# src/gui_qt/main/management.py
# src/gui_qt/math/binning.py
# src/nmreval/data/dsc.py
# src/nmreval/dsc/hodge.py
# src/resources/_ui/basewindow.ui
# src/resources/_ui/tnmh_dialog.ui
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2023-07-05 20:02:52 +02:00 |
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Dominik Demuth
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a310a78fb9
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added tnmh; some bugfixes
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2023-07-05 19:51:06 +02:00 |
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Dominik Demuth
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9756bf958b
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close #86;
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2023-07-05 18:11:58 +02:00 |
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Dominik Demuth
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8de4a0cbd3
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interim save
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2023-07-05 17:35:31 +02:00 |
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