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Accelerate ASE EMT using NumPy more 2 of 2 checklist items completed!3241
- Merged
- 19
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Added a constraint `FixSubsetCom` to fix the center of mass of a subset 3 of 3 checklist items completed!3193
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- 10
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change input file writing in DFTB calculator 1 of 3 checklist items completed!3137
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- 6
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Fix PhaseDiagram special case: single species 4 of 4 checklist items completed!3245
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- 1
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Add cohesive energies to ASE 1 of 1 checklist item completed!3246
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- 1
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- 5
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DOC: add matscipy to ecosystem.rst 1 of 1 checklist item completed!3243
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- 1
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DOC: MR template update 2 of 2 checklist items completed!3238
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- 1
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- 4
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- 1
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- Merged
- 1
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- Merged
- 9
- 1
- Approved
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Remove deprecated siesta command 1 of 3 checklist items completed!3233updated
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Add q-point num to the espresso-ph out 2 of 3 checklist items completed!3231
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- 1
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Misc. import fixes 0 of 3 checklist items completed!3230updated
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Fix to print unwrapped scaled positions in `write_vasp` 3 of 3 checklist items completed!3206
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- 6
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Misc. matplotlib-related fixes 1 of 3 checklist items completed!3227updated