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Fix DFT+U with non pseudopotential species 1 of 2 checklist items completedupdated
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- 1
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- 1
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PropagationSpectrumMinEnergy 1 of 2 checklist items completed
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Add a missing pack_states flag in the states_dim_copy routine. 1 of 2 checklist items completed
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- 1
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Dipole matrix elements 1 of 1 checklist item completed
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- 22
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Change intent(inout) to intent(in) in many places 1 of 2 checklist items completed
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- 3
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Several minor changes in the CG eigensolver 1 of 2 checklist items completed
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- 1
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Make threshold in energy change during CG iterations a parameter (CGEnergyChangeThreshold) 1 of 1 checklist item completed
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- 3
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Fix incorrect merge result. 1 of 2 checklist items completed
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Timed restart 2 of 2 checklist items completed
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- 43
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Optimize reductions 1 of 2 checklist items completed
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Skip the iterations when the weight is zero. 1 of 2 checklist items completed
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- 1
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Fix a bug that was leading to zeros in the diff for states using rmmdiis. 1 of 2 checklist items completed
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- 1
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Optimize the calculation of the density by avoid unnecessary operations. 1 of 2 checklist items completed
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- 2
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td_occup and states parallelization 1 of 2 checklist items completed
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- 4
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skip zero weight 1 of 2 checklist items completed
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