 Daniel Pozsar
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a7fa9171eb
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this is not working
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5 months ago |
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Daniel Pozsar
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80b4dcdf09
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test
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5 months ago |
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Daniel Pozsar
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e715aa60f9
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experimenting with parallelization
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5 months ago |
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Daniel Pozsar
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9927641dbf
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typing and added todo
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5 months ago |
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Daniel Pozsar
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d37a543480
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added slurm job id print
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5 months ago |
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Daniel Pozsar
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8dc209be9c
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added hh, ss symmetry test
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5 months ago |
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Daniel Pozsar
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fbdd121135
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updated todo
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5 months ago |
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Daniel Pozsar
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bbdd73f970
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added slurm job id print
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5 months ago |
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Daniel Pozsar
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e155ceae71
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more todo
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5 months ago |
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Daniel Pozsar
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243e01dac8
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ran simple test, fdf input works
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5 months ago |
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Daniel Pozsar
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8240d7bbd9
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turned off regular input for grogu
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5 months ago |
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Daniel Pozsar
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8af7757c87
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WARNING: this may break things, a bunch of stuff changed
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5 months ago |
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Daniel Pozsar
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46f83ff07c
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found bug, the new orientation of the magnetic entity was used on the pair calculation
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5 months ago |
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Daniel Pozsar
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62afefed65
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still looking for bug
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5 months ago |
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Daniel Pozsar
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11f68b9a43
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valami elromlott menet közben!!!
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5 months ago |
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Daniel Pozsar
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cad1cd96af
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corrected pickle read in
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5 months ago |
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Daniel Pozsar
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32d1f2bb41
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restructured import
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5 months ago |
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Daniel Pozsar
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03c5de2bb4
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cleared out parameters for now
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5 months ago |
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Daniel Pozsar
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0fa2b8311b
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added globals, off-diagonal anysotropy and todo
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5 months ago |
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Daniel Pozsar
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fd53e98c25
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trying module docstrings
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5 months ago |
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Daniel Pozsar
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d79828b9fd
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added better input
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5 months ago |
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Daniel Pozsar
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b4549fe5b2
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now we have a working documentation
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5 months ago |
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Daniel Pozsar
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38a3be0558
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working on documentation
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5 months ago |
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Daniel Pozsar
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f4b9fb062f
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created documentation based on sisl
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5 months ago |
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Daniel Pozsar
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423ead86f5
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almost ready for packaging
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5 months ago |
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Daniel Pozsar
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b6767c68d1
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testing input.fdf and reading input.fdf
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5 months ago |
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Daniel Pozsar
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496732dcd5
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corrected typos and working on fdf input
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5 months ago |
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Daniel Pozsar
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4563c33eb3
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updating
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5 months ago |
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Daniel Pozsar
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e883d151cd
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proper requirements, tqdm as optional dependency, proper pythonpath and grogu source
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5 months ago |
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Daniel Pozsar
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6563280eb7
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commenting and documentation
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5 months ago |
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Daniel Pozsar
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51fdb95eb9
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cleaning up repository and trying packaging
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5 months ago |
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Daniel Pozsar
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44292e02a3
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deleted old tests and run pre commit hook
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5 months ago |
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Daniel Pozsar
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a64faa5bb5
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added license and header
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5 months ago |
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Daniel Pozsar
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05c41be618
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updated progress and copied test to grogu
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5 months ago |
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Daniel Pozsar
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338715e53c
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running tests and experimenting
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5 months ago |
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Daniel Pozsar
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69f8dc7129
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created input fdf format
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5 months ago |
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Daniel Pozsar
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6921b24cf0
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threadpoolctl is needed for numpy thread management
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5 months ago |
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Daniel Pozsar
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7331542a76
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added onsite projection, padawan mode, updated printing, sane simulation parameters, reducing number of threads
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5 months ago |
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Daniel Pozsar
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950147c7bf
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added onsite projection slicing
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5 months ago |
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Daniel Pozsar
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29b893830a
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bunch of new "flags" and streamlined printing
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5 months ago |
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Daniel Pozsar
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d1b235b636
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changed symetric anysotropic
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5 months ago |
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Daniel Pozsar
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8b05e2db58
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restructure code
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5 months ago |
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Daniel Pozsar
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0db938aa50
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WARNING: ran pre commit hooks on these, this may break stuff...
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5 months ago |
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Daniel Pozsar
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49d2be4982
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restructuring code
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5 months ago |
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Daniel Pozsar
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933a50fddf
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updated pre commit
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5 months ago |
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Daniel Pozsar
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37ccf42d61
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ran test with anisotropy, consistency looks good, but there is no grogu data to compare with
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5 months ago |
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Daniel Pozsar
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0aaccc4c4b
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corrected path to utils, added anisotropy and corrected exchange field calculation
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5 months ago |
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Daniel Pozsar
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1e8cea8729
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moved useful to utils, commented a lot and added anisotropy calculation
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5 months ago |
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Daniel Pozsar
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4b3a6de669
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small difference in isotropic, could be a convergence thing, but otherwise it speaks for itself :)
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5 months ago |
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Daniel Pozsar
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2aaaf3d59d
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THIS WORKS!!!
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5 months ago |
