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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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- Merged
- 37
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Adding the output of the joint density of state. 1 of 2 checklist items completed
- Merged
- 6
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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
- Merged
- 12
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Revisit the iterative KS inversion 1 of 2 checklist items completed
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- 21
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Tutorial on Kohn-Sham inversion and fixes 1 of 2 checklist items completed
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- 47
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- Merged
- 2
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!2402
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- 20
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Adding a tutorial on the transient absorption. 1 of 2 checklist items completed
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- 17
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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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Fixes some errors obtained by valgrind+verrou 1 of 2 checklist items completed
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- 25
- Approved
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- Merged
- 1
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remove MPI comm from DFTB+ init 0 of 2 checklist items completed!2395
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- Approved
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- Merged
- 43
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Fixes the multipole output with frozen orbitals 1 of 2 checklist items completed
- Merged
- 6
- Approved
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Remove useless phase operation 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated