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Bugfix: error in number of cores.
Release #41: Release 2024.8.22 published by seamm
August 22, 2024 14:38 6m 52s
August 22, 2024 14:38 6m 52s
Bugfix and improvements for parallel runs
Release #40: Release 2024.7.31 published by seamm
July 31, 2024 17:07 6m 53s
July 31, 2024 17:07 6m 53s
Bugfix and improvements
Release #39: Release 2024.7.25 published by seamm
July 25, 2024 19:49 7m 59s
July 25, 2024 19:49 7m 59s
Minor internal change for GUI
Release #38: Release 2024.7.21.1 published by seamm
July 21, 2024 21:22 7m 1s
July 21, 2024 21:22 7m 1s
Improved handling of trajectories and results
Release #37: Release 2024.7.21 published by seamm
July 21, 2024 17:07 6m 23s
July 21, 2024 17:07 6m 23s
Internal release to fix issues with Docker build.
Release #36: Release 2024.6.28.1 published by seamm
June 28, 2024 19:30 7m 22s
June 28, 2024 19:30 7m 22s
Added energy and forces to properties
Release #35: Release 2024.6.28 published by seamm
June 28, 2024 17:51 4m 43s
June 28, 2024 17:51 4m 43s
Corrected issue with e.g. heat flux calculations
Release #34: Release 2024.3.22 published by seamm
March 22, 2024 19:25 10m 28s
March 22, 2024 19:25 10m 28s
Switched to new installation scheme
Release #33: Release 2024.3.21 published by seamm
March 21, 2024 15:06 11m 6s
March 21, 2024 15:06 11m 6s
Release
Release #32: published by seamm
March 21, 2024 14:43 5m 44s
March 21, 2024 14:43 5m 44s
Release
Release #31: published by seamm
March 21, 2024 14:23 39s
March 21, 2024 14:23 39s
Added ability to run in containers.
Release #30: Release 2024.1.18 published by seamm
January 18, 2024 17:21 6m 25s
January 18, 2024 17:21 6m 25s
Bugfix: properties that are constant
Release #29: Release 2023.11.7 published by seamm
November 7, 2023 14:05 20m 31s
November 7, 2023 14:05 20m 31s
Bugfix in thermal conductivity
Release #28: Release 2023.11.6 published by seamm
November 6, 2023 18:40 19m 21s
November 6, 2023 18:40 19m 21s
Bugfix: correct reading final structures
Release #27: Release 2023.9.6 published by seamm
September 6, 2023 17:25 21m 32s
September 6, 2023 17:25 21m 32s
Bugfix: not reading structure properly after dynamics
Release #26: Release 2023.8.31 published by seamm
August 31, 2023 12:55 21m 21s
August 31, 2023 12:55 21m 21s
Added support for tabulated angle potentials.
Release #25: Release 2023.8.27 published by seamm
August 28, 2023 09:57 33m 4s
August 28, 2023 09:57 33m 4s
Bugfix: error in x-axes of LAMMPS trajectory graphs
Release #24: Release 2023.8.21 published by seamm
August 21, 2023 19:50 21m 42s
August 21, 2023 19:50 21m 42s