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Created date
ENH: Structure Builder
!1
· created
Jun 12, 2020
by
Sebastian Kokott
Merged
updated
Sep 16, 2020
Update the paper according to Matthias comments
!2
· created
Aug 10, 2020
by
Sebastian Kokott
Merged
updated
Aug 10, 2020
FIX+ENH: Major Refactoring of Control Generator
!3
· created
Aug 25, 2020
by
Sebastian Kokott
Merged
updated
Aug 25, 2020
Resolve "Numerical accuracy defaults in gims don't seem helpful. Can we leave them away or place a warning?"
!4
· created
Aug 25, 2020
by
Sebastian Kokott
Merged
updated
Aug 25, 2020
Resolve "Can van der Waals corrections (TS, MBD) be made accessible in the xc section of the control.in builder?"
!5
· created
Aug 25, 2020
by
Sebastian Kokott
Merged
updated
Aug 25, 2020
Resolve "check and correct (?) density convergence criterion notation in output analyzer."
!6
· created
Aug 25, 2020
by
Sebastian Kokott
Merged
updated
Aug 25, 2020
Resolve "AIMS output not parsed"
!7
· created
Aug 25, 2020
by
Sebastian Kokott
Merged
updated
Aug 25, 2020
Transform to package
!8
· created
Aug 28, 2020
by
Sebastian Kokott
Merged
updated
Aug 28, 2020
Fix move vdw to xc functionals
!9
· created
Sep 04, 2020
by
Sebastian Kokott
Merged
updated
Sep 04, 2020
Bz viewer
!10
· created
Sep 16, 2020
by
Sebastian Kokott
Merged
updated
Sep 16, 2020
Resolve "relativity level is not specified in control.in"
!11
· created
Sep 16, 2020
by
Sebastian Kokott
Merged
updated
Sep 16, 2020
Resolve "Spin is not specified in control generator or in geometry.in"
!12
· created
Sep 16, 2020
by
Sebastian Kokott
Merged
updated
Sep 16, 2020
Slightly restructure backend
!13
· created
Sep 16, 2020
by
Sebastian Kokott
Merged
updated
Sep 16, 2020
Resolve "Units should be expressly visible where relevant"
!14
· created
Sep 17, 2020
by
Sebastian Kokott
Merged
updated
Sep 17, 2020
Add bz viewer to output analyzer
!15
· created
Sep 22, 2020
by
Sebastian Kokott
Merged
updated
Sep 22, 2020
Update paper and docs
!16
· created
Sep 23, 2020
by
Sebastian Kokott
Merged
updated
Sep 23, 2020
Format python part
!17
· created
Sep 24, 2020
by
Sebastian Kokott
Merged
updated
Sep 24, 2020
Add some back end tests and restructure
!18
· created
Sep 25, 2020
by
Sebastian Kokott
Merged
updated
Sep 25, 2020
Update readme dependencies
!19
· created
Sep 25, 2020
by
Sebastian Kokott
Merged
updated
Sep 25, 2020
Final fixes v 1 0 0
!20
· created
Oct 05, 2020
by
Sebastian Kokott
Merged
updated
Oct 07, 2020
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