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Optimizes the local potential and the magnetic term for spinors. 1 of 2 checklist items completed
- Merged
- 14
- Approved
updated -
The select case should be outside of the loop over grid points. 0 of 2 checklist items completed
- Merged
- Approved
updated -
Tol batch norm 1 of 2 checklist items completed
- Merged
- 4
- Approved
updated -
change default fftw plan 0 of 2 checklist items completed!2128
- Merged
- Approved
updated -
Refactors and improves for KLI 1 of 2 checklist items completed
- Merged
- 18
- Approved
updated -
Batchifies the calculation of DFT+U forces. 1 of 2 checklist items completed
- Merged
- 6
- Approved
updated -
Allows for subspace diagonalization of nonorthonormal states. 0 of 2 checklist items completed
- Merged
- 45
- Approved
updated -
Improves the Chebyshev filtering implementation 1 of 2 checklist items completed
- Merged
- 17
- Approved
updated -
Rewrites the Hartree contribution to the stress 1 of 2 checklist items completed
- Merged
- 24
- Approved
updated -
Batchify the calculation of the stress tensor 1 of 2 checklist items completed
- Merged
- 23
- Approved
updated -
Batchify the magnetic term in the Hamiltonian 0 of 2 checklist items completed
- Merged
- 8
- Approved
updated -
GPU and constant weight finite differences 1 of 2 checklist items completed
- Merged
- 10
- Approved
updated -
Fix the routine that synchronize all streams. 1 of 2 checklist items completed
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Removing unecessary synchronization on the GPU. 1 of 2 checklist items completed!1873
- Merged
- Approved
updated -
Remove useless GPU operations. 1 of 2 checklist items completed
- Merged
- Approved
updated -
Writing up a kernel for DOTPV. 1 of 2 checklist items completed
- Merged
- 15
- Approved
updated -
GPU and phase correction 0 of 2 checklist items completed
- Merged
- 12
- Approved
updated -
Optimize OpenMP routines 1 of 2 checklist items completed
- Merged
- 27
- Approved
updated -
Avoids a temporary array for GFortran. 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated -
Symmetrizer to grid 0 of 2 checklist items completed
- Merged
- 5
- Approved
updated