et209d pushed to main at et209d/grogu
- e715aa60f9 experimenting with parallelization
- 9927641dbf typing and added todo
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2 months ago
et209d pushed to main at et209d/grogu
- d37a543480 added slurm job id print
- 8dc209be9c added hh, ss symmetry test
- fbdd121135 updated todo
- bbdd73f970 added slurm job id print
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2 months ago
et209d pushed to main at et209d/grogu
- 243e01dac8 ran simple test, fdf input works
- 8240d7bbd9 turned off regular input for grogu
- 8af7757c87 WARNING: this may break things, a bunch of stuff changed
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2 months ago
et209d pushed to main at et209d/grogu
- 46f83ff07c found bug, the new orientation of the magnetic entity was used on the pair calculation
2 months ago
et209d pushed to main at et209d/grogu
- 62afefed65 still looking for bug
- 11f68b9a43 valami elromlott menet közben!!!
- cad1cd96af corrected pickle read in
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2 months ago
et209d pushed to main at et209d/grogu
- 03c5de2bb4 cleared out parameters for now
- 0fa2b8311b added globals, off-diagonal anysotropy and todo
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2 months ago
et209d pushed to main at et209d/grogu
- fd53e98c25 trying module docstrings
- d79828b9fd added better input
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2 months ago
et209d pushed to main at et209d/grogu
- 38a3be0558 working on documentation
- f4b9fb062f created documentation based on sisl
- 423ead86f5 almost ready for packaging
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2 months ago
et209d pushed to main at et209d/grogu
- b6767c68d1 testing input.fdf and reading input.fdf
- 496732dcd5 corrected typos and working on fdf input
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2 months ago
et209d pushed to main at et209d/grogu
- 4563c33eb3 updating
- e883d151cd proper requirements, tqdm as optional dependency, proper pythonpath and grogu source
- 6563280eb7 commenting and documentation
- 51fdb95eb9 cleaning up repository and trying packaging
- 44292e02a3 deleted old tests and run pre commit hook
- Compare 6 commits »
2 months ago
et209d pushed to main at et209d/grogu
- 05c41be618 updated progress and copied test to grogu
2 months ago
et209d pushed to main at et209d/grogu
- 338715e53c running tests and experimenting
- 69f8dc7129 created input fdf format
- 6921b24cf0 threadpoolctl is needed for numpy thread management
- 7331542a76 added onsite projection, padawan mode, updated printing, sane simulation parameters, reducing number of threads
- 950147c7bf added onsite projection slicing
- Compare 7 commits »
2 months ago