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Updated date
Molecular dynamics addition
!58
· created
Sep 05, 2023
by
Andrey Sobolev
Merged
updated
Sep 05, 2023
Release binaries creation
!57
· created
May 11, 2023
by
Andrey Sobolev
Merged
updated
May 11, 2023
Change plotting backend to plotly
!56
· created
Apr 12, 2023
by
Andrey Sobolev
Merged
updated
Apr 12, 2023
Resolve "A quick and dirty GW workflow"
!55
· created
Mar 20, 2023
by
Andrey Sobolev
Merged
updated
Mar 20, 2023
GW Calculation
!54
· created
Mar 13, 2023
by
Andrey Sobolev
Merged
updated
Mar 13, 2023
Resolve "Spin is not specified in control generator or in geometry.in"
!53
· created
Mar 07, 2023
by
Andrey Sobolev
Enhancement
Merged
updated
Mar 07, 2023
Resolve "The possibility of adding extra keywords to control.in"
!52
· created
Mar 02, 2023
by
Andrey Sobolev
Enhancement
Merged
updated
Mar 02, 2023
Resolve "ASE error propagation"
!51
· created
Feb 27, 2023
by
Andrey Sobolev
Merged
updated
Feb 27, 2023
Added full-short H-M correspondence
!50
· created
Feb 15, 2023
by
Andrey Sobolev
Merged
updated
Feb 15, 2023
Resolve "ASE error propagation"
!49
· created
Feb 14, 2023
by
Andrey Sobolev
Merged
updated
Feb 14, 2023
Release v1.1.0
!48
· created
Feb 10, 2023
by
Andrey Sobolev
Merged
updated
Feb 10, 2023
Resolve "Bug fixes and tests"
!47
· created
Feb 08, 2023
by
Andrey Sobolev
Merged
updated
Feb 09, 2023
Resolve "In the simple calculation workflow, can we add Mulliken and Hirshfeld charge decompositions as requestable observables?"
!46
· created
Jan 12, 2023
by
Andrey Sobolev
Merged
updated
Jan 13, 2023
Resolve "Can we add a button to constrain the relaxation of all atoms in a structure?"
!45
· created
Dec 08, 2022
by
Andrey Sobolev
Merged
updated
Dec 08, 2022
Added GIMS version selector
!44
· created
Nov 29, 2022
by
Andrey Sobolev
Merged
updated
Nov 29, 2022
Resolve "Symmetry threshold not consistent across features"
!43
· created
Nov 29, 2022
by
Andrey Sobolev
Merged
updated
Nov 29, 2022
Resolve "Two issues with GIMS' Band Structure and DOS setup"
!41
· created
Nov 01, 2022
by
Andrey Sobolev
Merged
3
updated
Nov 18, 2022
Production Docker configuration
!42
· created
Nov 17, 2022
by
Andrey Sobolev
Merged
updated
Nov 18, 2022
Resolve "Implementation of surface construction"
!39
· created
Sep 14, 2022
by
Andrey Sobolev
Merged
updated
Oct 28, 2022
Small consistency fixes
!40
· created
Sep 16, 2022
by
Andrey Sobolev
75-implementation-of-surface-construction
Merged
updated
Sep 16, 2022
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