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Create and use MPI wrappers to encapsulate most of the MPI functionality 1 of 1 checklist item completed
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- 12
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Improve cube output format 1 of 1 checklist item completed!1636 develop
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- 3
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Fix Umklapp for HF singularity 1 of 2 checklist items completed
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- 2
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Add and use new kind definitions for 32 and 64 bit integers and reals 1 of 1 checklist item completed
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- 12
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Bugfix: LCAO and full-range hybrids 1 of 2 checklist items completed
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- 2
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- 4
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- 1
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- 1
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updated -
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- 1
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Fix an integer overflow in mesh_nearest_point 1 of 1 checklist item completed
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- 1
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Minor optimization for DFT+U 1 of 2 checklist items completed
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- 2
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updated
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- 2
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Fix all MPI function calls to match interfaces and make MPI module default 1 of 1 checklist item completed
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- 1
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Batchifying the Crank-Nicolson time propagator. 1 of 2 checklist items completed
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- 5
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Output localized orbitals and spinors 1 of 2 checklist items completed
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- 2
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updated -
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- 1
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- 5
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updated