Comments (1)
See #141
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Related Issues (20)
- Error when loading SampleContainer from hdf5: "accepted" key of the trace is a Nonetype HOT 3
- Improve monte-carlo speed further by reducing python overheads
- utils.get_subclasses not further detecting children classes of an instantiable class HOT 1
- Numpy pinned to 1.23.5? HOT 1
- ensemble.restricted_sites
- Enable printing ClusterExpansion as a latex table HOT 1
- Allow setting number of omp threads at the sampler level
- Strange datatype issues after PR #358 HOT 3
- Evaluator unable to pickle, causing parallelization issues HOT 2
- Default number of threads needs more careful consideration. HOT 14
- Drop python 3.8 support
- Supercell could not be found from structure HOT 4
- Deprecate properties dictionary for Vacancy class HOT 1
- ClusterSubspace fails on prim derived from CIF file HOT 5
- [Feature Request]: Quick class method to get cluster count and cluster composition HOT 7
- Note for using the Landau-Wang entropy HOT 6
- [Bug]: SampleContainer previously saved as .h5 cannot be loaded - values corresponding to "accepted" key in Trace returns NoneType HOT 4
- Defining sampling efficiency: normalized by total steps or number of saved samples? HOT 2
- [Feature Request]: Release the constraint of bits HOT 4
- [Bug]: _gen_composition_ordered_occu in /smol/capp/generate/random.py composition check HOT 1
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