40 Commits (392460253b3bc48e1115113fe1c230877336df33)
 

Author SHA1 Message Date
Daniel Pozsar 392460253b added vscode workspace
3 months ago
Daniel Pozsar f45b5950e1 updated to do with test results (I want to repeat the other tests that I did with the new output)
3 months ago
Daniel Pozsar 9769e76c5d 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
3 months ago
Daniel Pozsar cdec373d0e added TODO dictionary output and rewrite output printing with that information
3 months ago
Daniel Pozsar f29b930df1 ran local tests with CrBr
3 months ago
Daniel Pozsar bd3ec608c4 enclosed in main function and correcte d useful import
3 months ago
Daniel Pozsar 4b091373d9 comparing results with grogu on Jij_for_Marci_6p45ang/CrBr.fdf
3 months ago
Daniel Pozsar ac6865fd11 Had to disable check-added-large-files pre-commit hook for siesta data and now I turn it back on
3 months ago
Daniel Pozsar 16775e7d24 added Jij_for_Marci_6p45ang for testing
3 months ago
Daniel Pozsar 0fcf8bfeb1 added grogu results from Fe3GeTe2
3 months ago
Daniel Pozsar ed74755240 added pprint and a bunch of output print for debugging
3 months ago
Daniel Pozsar 71eb8cfd70 added original pairs and magnetic entites for testing
3 months ago
Daniel Pozsar bf71aeda68 updated readme with more things to do
3 months ago
Daniel Pozsar ced109ba54 updated readme with the tests (that I am gonna rerun with the better output generation)
3 months ago
Daniel Pozsar a0f1e9ece6 added black:jupyter to pre-commit, made the output nicer so it is easier to debug code, experimented with no results... :'(
3 months ago
Daniel Pozsar c5ef8787bd changed the order of magnetic entities
3 months ago
Daniel Pozsar 4c84a4830c changed orbital of [3]Fe(2) to [3]Fe(1)
3 months ago
Daniel Pozsar b42c387140 changed the order of magnetic entities
3 months ago
Daniel Pozsar 5a0f62bce2 corrected DM and simmetric exchange in printing
3 months ago
Daniel Pozsar 2719881ea6 changed the second reference directions vw
3 months ago
Daniel Pozsar 445cb69fdb ran interactions between all three Fe in the first neighbouring cells
3 months ago
Daniel Pozsar 1606faa6f5 ran Greens function distance test
3 months ago
Daniel Pozsar a0cdecc306 corrected Vij Vji storage
3 months ago
Daniel Pozsar 72b9f8d7b7 added requirements for sisl.viz
3 months ago
Daniel Pozsar cd6e293d23 a bunch of things and proper documentation and build
3 months ago
Daniel Pozsar 7403710cf5 commented testing from pre-commit
3 months ago
Daniel Pozsar 21ab0dca84 changed pre-commit
3 months ago
Daniel Pozsar 18d42b11c8 working build on python 3.9.6
3 months ago
Daniel Pozsar 38e258bb5b updated paths to test data
3 months ago
Daniel Pozsar 1b035b82c5 added lat4_791
3 months ago
Daniel Pozsar c7485c949e javítva a build process
3 months ago
Daniel Pozsar e742c4fd18 something is still wrong with the isotropic exchange
3 months ago
Daniel Pozsar 7631cd38b6 almost working
3 months ago
Daniel Pozsar b11ab970d6 changed dependencies, added tests
3 months ago
Daniel Pozsar b4257ae2d8 added test.ipynb
3 months ago
Daniel Pozsar bcd9456bff cleared up repository
3 months ago
Daniel Pozsar e49d306bd4 added grogu to keys
3 months ago
Daniel Pozsar 0bcafcff15 twine added as requirement
3 months ago
Daniel Pozsar 3a23c31370 copy pasted grogu
3 months ago
Daniel Pozsar 339f324f81 first commit
3 months ago