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Crash when spin-dependent occupation for atom specified with non-spin polarised calculation #381

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davidbowler opened this issue Nov 25, 2024 · 1 comment
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Crash when spin-dependent occupation for atom specified with non-spin polarised calculation #381

davidbowler opened this issue Nov 25, 2024 · 1 comment
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area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: hours type: bug
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Release v1.4

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@davidbowler
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If a non-spin-polarized calculation is specified and the Atom.SpinNeUp and Atom.SpinNeDn parameters are set, the code crashes (it should just ignore the parameters).
@davidbowler davidbowler added area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: hours type: bug labels Nov 25, 2024
@davidbowler davidbowler added this to the Release v1.4 milestone Nov 25, 2024
@davidbowler davidbowler self-assigned this Nov 25, 2024
@davidbowler
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Fixed with #384

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area: main-source Relating to the src/ directory (main Conquest source code) improves: stability Fix or enhance issues with stability or robustness priority: minor time: hours type: bug
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Release v1.4
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