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Several minor changes in the CG eigensolver 1 of 2 checklist items completed
- Merged
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- 1
updated -
Make threshold in energy change during CG iterations a parameter (CGEnergyChangeThreshold) 1 of 1 checklist item completed
- Merged
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- 3
updated -
Fix incorrect merge result. 1 of 2 checklist items completed
- Merged
- 1
updated -
- Merged
- 1
updated -
Timed restart 2 of 2 checklist items completed
- Merged
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- 43
updated -
Optimize reductions 1 of 2 checklist items completed
- Merged
- 1
updated -
Skip the iterations when the weight is zero. 1 of 2 checklist items completed
- Merged
- 1
updated -
Fix a bug that was leading to zeros in the diff for states using rmmdiis. 1 of 2 checklist items completed
- Merged
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- 1
- Approved
updated -
Optimize the calculation of the density by avoid unnecessary operations. 1 of 2 checklist items completed
- Merged
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- 2
- Approved
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td_occup and states parallelization 1 of 2 checklist items completed
- Merged
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- 4
- Approved
updated -
skip zero weight 1 of 2 checklist items completed
- Merged
- 1
- Approved
updated -
Fix a bug with frozen U of frozen occupations in TDDFT+U that was causing a restart problem. 1 of 2 checklist items completed!567 9.1 hotfix-9.1
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- 5
- Approved
updated -
XCrysden output 1 of 2 checklist items completed!574 9.1 hotfix-9.1
- Merged
- 5
- Approved
updated -
- Merged
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- 3
- Approved
updated