 Daniel Pozsar
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2788ecc2e6
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added article
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2 months ago |
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Daniel Pozsar
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83ca35ef52
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calculate_exchange_tensor based on grogu
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2 months ago |
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Daniel Pozsar
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22b0be4e8c
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ran large k point set along x
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2 months ago |
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Daniel Pozsar
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1ea4bfd7ab
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just running tests
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3 months ago |
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Daniel Pozsar
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6b008d0e90
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just running tests
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3 months ago |
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Daniel Pozsar
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5f8d319578
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added better output, runtime tracking
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3 months ago |
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Daniel Pozsar
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3d66e82ffb
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adding data
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3 months ago |
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Daniel Pozsar
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b599a13f59
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added output file and saving output to pickled dict
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3 months ago |
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Daniel Pozsar
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25d60e5b6e
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remove corrupted data
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3 months ago |
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Daniel Pozsar
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d4cd2121d7
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remove corrupted data
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3 months ago |
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Daniel Pozsar
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9abf7155c2
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adding data
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3 months ago |
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Daniel Pozsar
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0fc5e6765d
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wont use this until I have a working version
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3 months ago |
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Daniel Pozsar
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8246a6a1ab
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updated standard output and return array
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3 months ago |
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Daniel Pozsar
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545848b298
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added data, but probably it still produces the error
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3 months ago |
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Daniel Pozsar
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3b27a1083c
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READ HAMILTONIAN PROBLEM SOLVED: it works if the data is not copied to the workspace, so probably there is some unwanted formatting (removed corrupted data)
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3 months ago |
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Daniel Pozsar
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2a10289fad
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added data
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3 months ago |
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Daniel Pozsar
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faac07d1f2
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it is needed to use python 3.9.6, removed a bunch of formatting from pre-commit
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3 months ago |
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Daniel Pozsar
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8677786da5
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excluding data folder from formatting
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3 months ago |
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Daniel Pozsar
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9f72b6b7eb
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removed corrupted data
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3 months ago |
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Daniel Pozsar
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44f639afcc
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enforced netcdf version to load older hsx format and numpy 1 for sisl compatibility
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3 months ago |
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Daniel Pozsar
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8a6b8e29c3
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moved all dependencies to dependencies.txt and enforced python 3.9
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3 months ago |
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Daniel Pozsar
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8b2afbb555
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could not read hamiltonian, tested for a bunch of sisl versions
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3 months ago |
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Daniel Pozsar
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cf0d57d93d
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updated todo
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3 months ago |
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Daniel Pozsar
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fe4818c19a
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moved to different location
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3 months ago |
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Daniel Pozsar
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f4d1b01a80
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sisl cannot read hamiltonian, so Im experimenting with versions
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3 months ago |
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Daniel Pozsar
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2fcd2dca2a
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added black[jupyter]
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3 months ago |
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Daniel Pozsar
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392460253b
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added vscode workspace
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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 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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3 months ago |
