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Allows for subspace diagonalization of nonorthonormal states. 0 of 2 checklist items completed!2077 14.0
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- 45
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Batchifies the calculation of DFT+U forces. 1 of 2 checklist items completed!2083 14.0
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- 6
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Tol batch norm 1 of 2 checklist items completed!2131 14.0
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- 4
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Minor improvements of the slater potential. 1 of 2 checklist items completed!2174 14.0
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- 3
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The select case should be outside of the loop over grid points. 0 of 2 checklist items completed!2147 14.0
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Some optimizations for batch operations and more 1 of 2 checklist items completed!2300 14.0
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- 8
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All-to-all exchange of batches 1 of 2 checklist items completed
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- 32
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Adding the contiguous flag to MPI interfaces. 1 of 2 checklist items completed!2228 14.0
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- 34
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Reduce temp array creation warnings 0 of 2 checklist items completed!2237 14.0
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Improves the bound estimation 1 of 2 checklist items completed!2080 14.0
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- 8
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Addresses some compiler warnings (GFortran) 1 of 2 checklist items completed!2114 14.0
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- 2
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Fixes PUSH/POP_SUB 1 of 2 checklist items completed!2180 14.0
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- 9
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Fixes some signes for the magnetic term in the Hamiltonian 1 of 2 checklist items completed!2154 14.0
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- 12
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Several improvements for the stress tensor 1 of 2 checklist items completed!2158 14.0
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- 25
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Fixes the OEP full calculations 1 of 2 checklist items completed!2104 14.0
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- 13
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Fully-relativistic UPF2 pseudopotentials 2 of 2 checklist items completed!2310 14.0
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- 77
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Improves the SVD by following what is done in Matlab. This is part of the changes of MR1777. 1 of 2 checklist items completed
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- 8
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change default fftw plan 0 of 2 checklist items completed!2128
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Forbid to run fully relativistic UPF2 1 of 2 checklist items completed
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- 5
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Improves the Chebyshev filtering implementation 1 of 2 checklist items completed!2042 13.0
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- 17
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updated