Comments (1)
Now that we use black for code formatting, the quotes will follow the same formatting standard throughout the code.
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Related Issues (20)
- Update DOS documentation
- [ENHANCEMENT] Preview for Configurator outputs
- [BUG] Problems starting MDANSE_GUI on openSUSE with Wayland
- [ENHANCEMENT] LAMMPS converter unit specification
- [BUG] On Mac `File -> Open` in top-bar, not GUI bar
- [BUG] Unusual RDF result in pair distribution function job. HOT 1
- [ENHANCEMENT] change correlation function so that the number of configurations used to determine the average is the same for all times HOT 2
- [ENHANCEMENT] Phonon dispersion/dynamical matrix calculation
- [BUG] Unexpected normalisation of DOS results HOT 2
- [ENHANCEMENT] Temperature calculation on conversion HOT 1
- [ENHANCEMENT] DASK and MDANSE
- [ENHANCEMENT] Q vector generation: path in reciprocal space HOT 3
- [BUG] DISF calculation: CPU usage cannot be controlled
- [BUG] Job trajectory widgets open up in its own windows
- [BUG] Numerical derivatives test: inaccuracies for some cases HOT 2
- [ENHANCEMENT] Q vector generation: load a user-provided array
- [BUG] NeutronDynamicTotalStructureFactor: mismatch between default DISF and DCSF parameters
- [BUG] Crash when no atom are selected
- [ENHANCEMENT] Set the maximum r value with the PDF job.
- [BUG] DCSF assumes f(q,t)_AB = f(q,t)_BA is this correct? HOT 2
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