 Daniel Pozsar
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2fcd2dca2a
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added black[jupyter]
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6 months ago |
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Daniel Pozsar
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392460253b
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added vscode workspace
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6 months ago |
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Daniel Pozsar
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f45b5950e1
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updated to do with test results (I want to repeat the other tests that I did with the new output)
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6 months ago |
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Daniel Pozsar
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9769e76c5d
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output of run with multiple pairs and single pair to check if there is mixing of pairs in the code somehow --> the output of a single pair is the same, when there are multiple pairs
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6 months ago |
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Daniel Pozsar
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cdec373d0e
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added TODO dictionary output and rewrite output printing with that information
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6 months ago |
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Daniel Pozsar
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f29b930df1
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ran local tests with CrBr
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6 months ago |
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Daniel Pozsar
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bd3ec608c4
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enclosed in main function and correcte d useful import
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6 months ago |
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Daniel Pozsar
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4b091373d9
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comparing results with grogu on Jij_for_Marci_6p45ang/CrBr.fdf
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6 months ago |
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Daniel Pozsar
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ac6865fd11
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Had to disable check-added-large-files pre-commit hook for siesta data and now I turn it back on
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6 months ago |
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Daniel Pozsar
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16775e7d24
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added Jij_for_Marci_6p45ang for testing
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6 months ago |
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Daniel Pozsar
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0fcf8bfeb1
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added grogu results from Fe3GeTe2
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6 months ago |
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Daniel Pozsar
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ed74755240
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added pprint and a bunch of output print for debugging
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6 months ago |
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Daniel Pozsar
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71eb8cfd70
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added original pairs and magnetic entites for testing
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6 months ago |
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Daniel Pozsar
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bf71aeda68
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updated readme with more things to do
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6 months ago |
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Daniel Pozsar
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ced109ba54
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updated readme with the tests (that I am gonna rerun with the better output generation)
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6 months ago |
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Daniel Pozsar
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a0f1e9ece6
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added black:jupyter to pre-commit, made the output nicer so it is easier to debug code, experimented with no results... :'(
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6 months ago |
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Daniel Pozsar
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c5ef8787bd
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changed the order of magnetic entities
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6 months ago |
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Daniel Pozsar
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4c84a4830c
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changed orbital of [3]Fe(2) to [3]Fe(1)
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6 months ago |
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Daniel Pozsar
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b42c387140
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changed the order of magnetic entities
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6 months ago |
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Daniel Pozsar
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5a0f62bce2
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corrected DM and simmetric exchange in printing
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6 months ago |
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Daniel Pozsar
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2719881ea6
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changed the second reference directions vw
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6 months ago |
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Daniel Pozsar
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445cb69fdb
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ran interactions between all three Fe in the first neighbouring cells
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6 months ago |
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Daniel Pozsar
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1606faa6f5
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ran Greens function distance test
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6 months ago |
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Daniel Pozsar
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a0cdecc306
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corrected Vij Vji storage
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6 months ago |
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Daniel Pozsar
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72b9f8d7b7
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added requirements for sisl.viz
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6 months ago |
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Daniel Pozsar
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cd6e293d23
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a bunch of things and proper documentation and build
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6 months ago |
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Daniel Pozsar
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7403710cf5
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commented testing from pre-commit
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6 months ago |
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Daniel Pozsar
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21ab0dca84
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changed pre-commit
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6 months ago |
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Daniel Pozsar
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18d42b11c8
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working build on python 3.9.6
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6 months ago |
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Daniel Pozsar
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38e258bb5b
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updated paths to test data
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6 months ago |
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Daniel Pozsar
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1b035b82c5
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added lat4_791
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6 months ago |
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Daniel Pozsar
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c7485c949e
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javítva a build process
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6 months ago |
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Daniel Pozsar
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e742c4fd18
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something is still wrong with the isotropic exchange
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6 months ago |
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Daniel Pozsar
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7631cd38b6
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almost working
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6 months ago |
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Daniel Pozsar
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b11ab970d6
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changed dependencies, added tests
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6 months ago |
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Daniel Pozsar
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b4257ae2d8
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added test.ipynb
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6 months ago |
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Daniel Pozsar
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bcd9456bff
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cleared up repository
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6 months ago |
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Daniel Pozsar
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e49d306bd4
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added grogu to keys
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6 months ago |
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Daniel Pozsar
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0bcafcff15
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twine added as requirement
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6 months ago |
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Daniel Pozsar
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3a23c31370
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copy pasted grogu
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6 months ago |
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Daniel Pozsar
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339f324f81
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first commit
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6 months ago |
