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Bugfix: Issue with spin-polarized calculations Release #41: Release 2025.1.21 published by seamm
January 21, 2025 20:12 5m 30s
January 21, 2025 20:12 5m 30s
Bugfix: Issue with initialization in subflowcharts Release #40: Release 2024.12.14 published by seamm
December 14, 2024 22:42 8m 44s
December 14, 2024 22:42 8m 44s
Added the standard results for drivers Release #39: Release 2024.10.20 published by seamm
October 20, 2024 21:52 7m 22s
October 20, 2024 21:52 7m 22s
Fix: the Docker build needed updating for changes in SEAMM Release #38: Release 2024.7.30 published by seamm
July 30, 2024 14:19 8m 12s
July 30, 2024 14:19 8m 12s
Bugfix: initial version of dftbplus.ini Release #37: Release 2024.7.29 published by seamm
July 29, 2024 23:28 4m 26s
July 29, 2024 23:28 4m 26s
Finalized support for Docker containers Release #36: Release 2024.4.24 published by paulsaxe
April 24, 2024 21:51 11m 31s
April 24, 2024 21:51 11m 31s
Support for running in containers and writing input only Release #35: Release 2024.1.18 published by seamm
January 19, 2024 00:14 5m 58s
January 19, 2024 00:14 5m 58s
Standard structure handling and cleaned up output Release #34: Release 2023.11.10 published by seamm
November 10, 2023 10:58 24m 40s
November 10, 2023 10:58 24m 40s
Bugfix: Fermi level being an array caused problems Release #33: Release 2023.11.8 published by seamm
November 9, 2023 16:29 15m 26s
November 9, 2023 16:29 15m 26s
Added structure to orbital and density plots Release #32: Release 2023.11.7 published by seamm
November 8, 2023 01:18 26m 59s
November 8, 2023 01:18 26m 59s