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Small cleaning and batchification of the kdotp code. 1 of 2 checklist items completed
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- 6
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Fixes the multipole output with frozen orbitals 1 of 2 checklist items completed
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- 6
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Reduce the number of instances of HAVE_MPI in the high-level part of the code. 1 of 2 checklist items completed
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- 13
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- 43
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!2402
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- 20
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Update libxc url 0 of 2 checklist items completed
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Resolve "CMake: support CUDA-aware MPI" 0 of 2 checklist items completed
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- 12
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- 2
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Improved SOC test for solids 1 of 2 checklist items completed
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- 23
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Fix DFT+U forces for solids 0 of 2 checklist items completed
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- 3
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- 13
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!2400
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Draft: Merge 14.1 into main 0 of 2 checklist items completed!2398updated
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Fix a segfault for the excited state output in presence of frozen orbitals. 1 of 2 checklist items completed
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- 9
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- 1
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remove MPI comm from DFTB+ init 0 of 2 checklist items completed!2395
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- 7
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Fixes SIC correction and frozen orbitals 1 of 2 checklist items completed
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- 7
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- 1
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updated