Related Issues (20)
- [BUG] Atom transmutation
- [BUG] Documentation of Radius Of Gyration does not agree with the code
- [BUG] Check that the documentation and code for the analysis jobs are consistent and correct
- [BUG] Update the information panel data in the actions tab
- [BUG] Why does the DOS go less then zero and why do they have negative frequencies? HOT 2
- 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
- [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
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