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Changed how ORCA specifications work CD #43: Commit 2806dcd pushed by RaphaelRobidas
August 31, 2024 17:43 50s v1.11.0
v1.11.0
August 31, 2024 17:43 50s
Fixed bug where extra lines in input files would mistakingly be count… CD #42: Commit 17c1411 pushed by RaphaelRobidas
August 26, 2024 16:19 59s v1.10.5
v1.10.5
August 26, 2024 16:19 59s
Made error message slightly more verbose CD #41: Commit 3300080 pushed by RaphaelRobidas
June 4, 2024 17:04 53s v1.10.4
v1.10.4
June 4, 2024 17:04 53s
Fixed memory specification CD #40: Commit d9c84e1 pushed by RaphaelRobidas
January 15, 2024 16:04 1m 9s v1.10.3
v1.10.3
January 15, 2024 16:04 1m 9s
Added support for --molden and --json output specifications in xtb CD #39: Commit 2fdb981 pushed by RaphaelRobidas
October 8, 2023 17:34 1m 16s v1.10.2
v1.10.2
October 8, 2023 17:34 1m 16s
Added concerted xtb scans CD #38: Commit a55d031 pushed by RaphaelRobidas
August 21, 2023 15:03 1m 37s v1.10.1
v1.10.1
August 21, 2023 15:03 1m 37s
Fixed docs and minor tweaks CD #37: Commit 529d38a pushed by RaphaelRobidas
July 15, 2023 13:13 1m 53s v1.10.0
v1.10.0
July 15, 2023 13:13 1m 53s
Code style standardization CD #36: Commit 6eaed47 pushed by RaphaelRobidas
June 12, 2023 15:41 1m 38s v1.9.1
v1.9.1
June 12, 2023 15:41 1m 38s