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Rewrites the Hartree contribution to the stress 1 of 2 checklist items completed
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- 24
- Approved
updated -
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- 5
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Fixes scalapack routines 0 of 2 checklist items completed
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- 1
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Resolve "Fix initialization for species full Gaussian" 0 of 2 checklist items completed
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- Approved
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Fix a too long profiler name. 1 of 2 checklist items completed
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- Approved
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Fixes the index for getting the principal quantum number in all-electron calculations. 1 of 2 checklist items completed
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- 2
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Aetrs propagator in the new framework 2 of 2 checklist items completed
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- 6
- Approved
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Resolve "Allow for Longer Path Names" 0 of 2 checklist items completed
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Batchify the calculation of the stress tensor 1 of 2 checklist items completed
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- 23
- Approved
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Extra states as percentage of the amount of occupied states 0 of 2 checklist items completed
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- 3
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- 6
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- 19
- Approved
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AllElectronType 2 of 2 checklist items completed
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- 11
- Approved
updated -
!1961
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- 7
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Adds the contiguous flag for accel read/write routines. 1 of 2 checklist items completed
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- 1
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Prevent accessing the index 1 in the array if the size is zero. 1 of 2 checklist items completed
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- 10
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- Merged
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Removes the QM/MM features as it was broken 1 of 2 checklist items completed
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- 10
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Fixes the randomization for domain parallelization 1 of 2 checklist items completed
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- 7
- Approved
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Fixes the randomization for domain parallelization 1 of 2 checklist items completed