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Fix GPU kernels 1 of 2 checklist items completed
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Bugfix for TDFreezeOrbitals=sae. 1 of 2 checklist items completed
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- 9
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Helmholtz Decomposition surface correction 2 of 2 checklist items completed
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- 176
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Call submesh_init less often 2 of 2 checklist items completed!1790
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- 21
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Batchify LDA+U commute r 1 of 2 checklist items completed
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- 20
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updated periodic-systems tutorial 0 of 2 checklist items completed
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- 3
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Periodic moving ion test 2 of 2 checklist items completed!1787
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Faster test 1 of 2 checklist items completed
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Fix several small bugs for the calculation of the commutator of [r,V_NL] 1 of 2 checklist items completed
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- 3
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Adding support for OpenMP in xc-related routines. 1 of 2 checklist items completed
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Use the fixed occupations after restarting only if all states are found 2 of 2 checklist items completed
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- 6
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Refactoring the PZ SIC and trying to improve the logic of the code in few places. 1 of 2 checklist items completed
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- 12
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First attempt at migrating the projection of the non local part of the forces to gpu 2 of 2 checklist items completed!1781 13.0
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- 6
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Numerical stability Broyden 1 of 2 checklist items completed
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- 16
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Change default for RestartFixedOccupations to yes 1 of 2 checklist items completed
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- 7
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Refactoring of the SIC code: 1 of 2 checklist items completed
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- 12
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Improve the calculation of the weight of the Laplacian for some pathological cases. 0 of 2 checklist items completed
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Some more bound-type procedures 1 of 2 checklist items completed
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There is no UnitsInput, but there is a UnitsXYZFiles variable. 2 of 2 checklist items completed!1775
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Fix uvw_to_xyz kernel 1 of 2 checklist items completed
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- 5
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