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Allocate packed host memory by default for wavefunctions and overlap computation/communication for TD 2 of 2 checklist items completed
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- 1
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Refactor pack logic 2 of 2 checklist items completed
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- 8
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Refactor batch allocation routines 2 of 2 checklist items completed
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- 1
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Restructure and simplify batch initialization 2 of 2 checklist items completed
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- 1
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Simplify batches 2 of 2 checklist items completed
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- 1
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Make batches always use contiguous memory: introduce simpler variables and remove states and states_linear 2 of 2 checklist items completed
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- 1
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Implementation of the Coulomb singularity for the Coulomb integrals in solids. 1 of 2 checklist items completed
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- 26
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Cell angles 2 of 2 checklist items completed
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- 1
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Submesh ISF 1 of 2 checklist items completed
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- 7
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Adding support for complex-to-complex FFT in the Poisson solver 1 of 2 checklist items completed
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- 11
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Symmetry compute 1 of 2 checklist items completed
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- 1
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Improved symmetrizer 1 of 2 checklist items completed
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- 25
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Add new macro SAFE_ALLOCATE_TYPE 2 of 2 checklist items completed
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- 10
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WIP: Combined xc derivatives 1 of 2 checklist items completed
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WIP: f_xc for GGA 1 of 2 checklist items completed
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Allocate pinned memory only if accel is enabled 1 of 1 checklist item completed
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- 1
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Reorder ranks to improve locality in communication 2 of 2 checklist items completed
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- 7
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Remove the single precision related parts of the code. 1 of 2 checklist items completed
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- 1
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Fix precision issue when determining if point is in box 1 of 1 checklist item completed
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- 1
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Fix finite precision bug 1 of 1 checklist item completed