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Release.yaml
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Enhanced results and fixed problem with psi4.ini Release #27: Release 2024.7.30 published by seamm
July 30, 2024 15:24 7m 59s
July 30, 2024 15:24 7m 59s
Added auxiliary codes that help Psi4 Release #26: Release 2024.5.23.3 published by paulsaxe
May 23, 2024 23:01 7m 40s
May 23, 2024 23:01 7m 40s
Bugfix: incorrect name for gradients Release #25: Release 2024.5.23.2 published by seamm
May 23, 2024 18:22 7m 41s
May 23, 2024 18:22 7m 41s
Internal fix for creating Docker image. Release #24: Release 2024.5.23.1 published by seamm
May 23, 2024 15:07 3m 10s
May 23, 2024 15:07 3m 10s
Added standard energy and gradients to results Release #23: Release 2024.5.23 published by seamm
May 23, 2024 14:30 4m 37s
May 23, 2024 14:30 4m 37s
Updated the installer to support Conda and Docker Release #22: Release 2024.3.17 published by seamm
March 17, 2024 21:19 8m 49s
March 17, 2024 21:19 8m 49s
Allowing short names for method and DFT functionals Release #21: Release 2024.3.4 published by seamm
March 4, 2024 18:25 9m 15s
March 4, 2024 18:25 9m 15s
Full support of Docker. Release #20: Release 2024.2.29 published by seamm
February 29, 2024 20:09 9m 40s
February 29, 2024 20:09 9m 40s
Changes to allow running in containers. Release #19: Release 2024.1.11 published by seamm
January 12, 2024 15:59 6m 56s
January 12, 2024 15:59 6m 56s
Fix for installation of Psi4 Release #18: Release 2023.10.23 published by seamm
October 23, 2023 17:13 17m 44s
October 23, 2023 17:13 17m 44s
Enhancement of orbital plots Release #17: Release 2023.10.22 published by seamm
October 23, 2023 00:59 17m 21s
October 23, 2023 00:59 17m 21s