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Optimize Loewdin 1 of 2 checklist items completed
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Performance improvement for DFT+U on GPUs 2 of 2 checklist items completed
- Merged
- 16
- Approved
updated -
Optimize submesh_init for periodic systems 1 of 2 checklist items completed
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Batchify LDA+U commute r 1 of 2 checklist items completed
- Merged
- 20
- Approved
updated -
Adding support for OpenMP in xc-related routines. 1 of 2 checklist items completed
- Merged
- Approved
updated -
Unnecessary call 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated -
oct-convert and epot 1 of 2 checklist items completed
- Merged
- Approved
updated -
Add a finalize routine for regridding to avoid memory leaks 1 of 1 checklist item completed
- Merged
- Approved
updated -
Contiguous arrays 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated -
Bugfix in oct-wannier90 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated -
Make the mesh_to_cube mapping local 1 of 2 checklist items completed
- Merged
- 22
- Approved
updated -
Implement the support of CUDA aware MPI for periodic boundary conditions. 1 of 2 checklist items completed
- Merged
- 11
- Approved
updated -
OpenMP support for 2D Ewald sum 1 of 2 checklist items completed
- Merged
- 4
- Approved
updated -
Resolve "Fix overlapping spheres issue on GPU" 4 of 4 checklist items completed
- Merged
- 29
- Approved
updated -
Add OpenMP support to some routines. 1 of 2 checklist items completed
- Merged
- Approved
updated -
Transpose the array rel_x 1 of 2 checklist items completed
- Merged
- 19
- Approved
updated -
Fix a bug in the calculation of the cutoff for the 3D-0D FFT in non-cubic cells. 1 of 2 checklist items completed
- Merged
- 29
- Approved
updated -
Projectors and spacing 1 of 2 checklist items completed
- Merged
- 24
- Approved
updated -
Minor optimization for DFT+U 1 of 2 checklist items completed
- Merged
- 2
- Approved
updated -
Batchifying the Crank-Nicolson time propagator. 1 of 2 checklist items completed
- Merged
- 5
- Approved
updated