 Daniel Pozsar
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2aaaf3d59d
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THIS WORKS!!!
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2 months ago |
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Daniel Pozsar
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d3374b054c
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this was auto generated by claude.ai as a presentation
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2 months ago |
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Daniel Pozsar
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3e1ea8366a
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there was a 1/2 missing from XCF, now it looks really really good :)
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2 months ago |
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Daniel Pozsar
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3c371c113d
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corrected typo
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2 months ago |
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Daniel Pozsar
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df811a9b6c
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test run
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2 months ago |
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Daniel Pozsar
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0f4d249dbd
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added test run for Fermi energy shift
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2 months ago |
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Daniel Pozsar
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93dfa2e2ad
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updated results and added charge conservation task
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2 months ago |
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Daniel Pozsar
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61dff0c762
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test outputs
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2 months ago |
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Daniel Pozsar
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211e3be6bd
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mathsow matrix comparison and test runs
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2 months ago |
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Daniel Pozsar
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6fee54f86c
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added Greens function test result (passed)
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2 months ago |
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Daniel Pozsar
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7addb1693d
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running tests
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2 months ago |
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Daniel Pozsar
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0b8b0065d0
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corrected mistake in greens function phase, ran test on symmetric pairs and it works
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2 months ago |
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Daniel Pozsar
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b3b3f86512
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added distance
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2 months ago |
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Daniel Pozsar
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3678284659
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WARNING: a bunch of things, removed thread numbers
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2 months ago |
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Daniel Pozsar
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89396fb35e
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return J for debugging
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2 months ago |
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Daniel Pozsar
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4d47b19575
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ran test on grogu type of exchange calculation, but it did not work
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2 months ago |
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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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3 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 |
