- 01 Feb, 2023 4 commits
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Lauri Himanen authored
Updated electronic parser submodule to the correct version. See merge request !1069
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Lauri Himanen authored
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Lauri Himanen authored
Reintroduced menu items for program information, renamed xc_functional_type... Closes #1310 See merge request !1067
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Lauri Himanen authored
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- 31 Jan, 2023 5 commits
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Lauri Himanen authored
Resolve "Update 3D structure viewer" Closes #953 See merge request !776
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Lauri Himanen authored
Changelog: Added
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Mohammad Nakhaee authored
Resolve "A dialog to create entry" Closes #1282 See merge request !1032
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Mohammad Nakhaee authored
A dialog designed to select schema from the built-in schemas or custom schemas. The sectionSelectAutocomplete has been used for searching custom schemas Tests for this dialog were added. Many bug fixes on sectionSelectAutocomplete which is shared with reference edit quantity. The tests for the reference edit quantity have been modified based on the bug fixes. Changelog: Added
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Markus Scheidgen authored
Fixed small issues with the developers setup of nomad See merge request !1064
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- 30 Jan, 2023 6 commits
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Nathan Daelman authored
Add normalization for `run.method.k_mesh` Add `results.method.simulation.prescision` subsection in results with a `k_line_density` quantity Add normalization for `k_line_density` Closes #1191 and #1239 See merge request !1031
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Nathan Daelman authored
Add `results.method.simulation.prescision` subsection in results with a `k_line_density` quantity Add normalization for `k_line_density`
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Hampus Naesstroem authored
Resolve "refactoring eln base sections" Closes #1152 See merge request !1037
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Hampus Naesstroem authored
Closes #1152 by adding the `Substance` and `Ensemble` classes with their superclass `System` to `nomad.datamodel.metainfo.eln`. In addition the `SampleID` class was modified to get automatically filled by data from the `metadata.main_author`. The `Susbtance class uses the the new `Formula` class from `nomad.atomutils` and two new methods were introduced to this class. Merge also includes a fix to the GUI for rendering undefined times. Changelog: Added
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Mohammad Nakhaee authored
Merge branch '1241-create-archive-from-reference-quantity-is-not-able-to-create-child-classes' into 'develop' Resolve "Create Archive from reference Quantity is not able to create child classes" Closes #1241 See merge request !1019
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Mohammad Nakhaee authored
1. To create a child directly from the dialog 2. If we create the reference from the a base section we can switch between the inheriting sections in the lane (A three dot navigation to the entry has been implemented in another MR to prevent conflicts) Changelog: Added
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- 27 Jan, 2023 3 commits
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Markus Scheidgen authored
Changelog: Fixed
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Markus Scheidgen authored
Merge branch '1308-electronic-properties-are-not-rendered-for-entries-with-bandstructure' into 'develop' Fixed issue with mixed repeating and non-repeating sections in electronic properties. Closes #1308 See merge request !1063
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Lauri Himanen authored
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- 26 Jan, 2023 4 commits
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Lauri Himanen authored
Add solid_dmft parser Closes #1264 See merge request !1038
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Markus Scheidgen authored
Resolve "Fix issues in the new GUI layout found using production data" Closes #1304 See merge request !1061
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Chang
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- 25 Jan, 2023 13 commits
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Florian Dobener authored
Saves the value with defaultDisplayUnit to eln_data.yaml See merge request !1055
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Markus Scheidgen authored
Fixed endless recursion in metainfo browser. See merge request !1059
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Markus Scheidgen authored
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Markus Scheidgen authored
This fixes a GUI crash that appeared when opening the metainfo browser. Changelog: Fixed
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Markus Scheidgen authored
Fixed the README batches and changed pipeline to push tags to github. See merge request !1057
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Markus Scheidgen authored
Changelog: Fixed
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Lauri Himanen authored
Resolve "Configure Naming of Tab of specific Oasis" Closes #1301 See merge request !1056
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Lauri Himanen authored
Changelog: Added
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Lauri Himanen authored
Fixed issue with optimade filter menu performing premature API calls. Closes #1297 See merge request !1048
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Lauri Himanen authored
Changelog: Fixed
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Markus Scheidgen authored
Added automatic push of develop to github. See merge request !1047
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Markus Scheidgen authored
We now push the most recent changes to develop to github. This allows users on github to fork the project and make contributions via pull requests. Changelog: Added
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Markus Scheidgen authored
Set suitable worker defaults. See merge request !1050
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- 24 Jan, 2023 2 commits
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Florian Dobener authored
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Markus Scheidgen authored
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- 23 Jan, 2023 3 commits
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Joseph Rudzinski authored
added atom types to archive_to_universe from method.atom_parameters Closes #1288 See merge request !1042
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Lauri Himanen authored
GUI cleanup Closes #520, #879, and #1260 See merge request !1045
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Lauri Himanen authored
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