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Adjusted NWChem specification parsing CI #187: Commit 9744e28 pushed by RaphaelRobidas
September 1, 2024 15:51 27s main
main
September 1, 2024 15:51 27s
Changed how ORCA specifications work CI #186: Commit 2806dcd pushed by RaphaelRobidas
August 29, 2024 15:15 34s main
main
August 29, 2024 15:15 34s
Switched ORCA specifications to a more modular approach CI #185: Commit f6112fa pushed by RaphaelRobidas
August 29, 2024 14:38 37s main
main
August 29, 2024 14:38 37s
Fixed bug where extra lines in input files would mistakingly be count… CI #184: Commit 17c1411 pushed by RaphaelRobidas
August 26, 2024 16:19 3m 43s main
main
August 26, 2024 16:19 3m 43s
Made error message slightly more verbose CI #183: Commit 3300080 pushed by RaphaelRobidas
June 4, 2024 17:04 30s main
main
June 4, 2024 17:04 30s
Merge pull request #17 from corcoted/corcoted CI #182: Commit 06fc6c2 pushed by RaphaelRobidas
June 4, 2024 17:00 33s main
main
June 4, 2024 17:00 33s
Fix get_abs_basis_set when basis set is unknown and trust_me is True CI #181: Pull request #17 opened by corcoted
May 28, 2024 18:52 33s corcoted:corcoted
corcoted:corcoted
May 28, 2024 18:52 33s
Updated docs requirements CI #180: Commit 0be6b6c pushed by RaphaelRobidas
January 15, 2024 19:35 46s main
main
January 15, 2024 19:35 46s
Fixed memory specification CI #179: Commit d9c84e1 pushed by RaphaelRobidas
January 15, 2024 16:03 2m 14s main
main
January 15, 2024 16:03 2m 14s
Fixed docs CI #178: Commit cd412fc pushed by RaphaelRobidas
October 8, 2023 17:51 54s main
main
October 8, 2023 17:51 54s
Added missing file for documentation building CI #177: Commit 81d9c90 pushed by RaphaelRobidas
October 8, 2023 17:48 1m 2s main
main
October 8, 2023 17:48 1m 2s
Added support for --molden and --json output specifications in xtb CI #176: Commit 2fdb981 pushed by RaphaelRobidas
October 8, 2023 17:33 53s main
main
October 8, 2023 17:33 53s
Updated the documentation CI #175: Commit c423769 pushed by RaphaelRobidas
August 26, 2023 20:28 57s main
main
August 26, 2023 20:28 57s
Added concerted xtb scans CI #174: Commit a55d031 pushed by RaphaelRobidas
August 21, 2023 13:56 1m 0s main
main
August 21, 2023 13:56 1m 0s
Added the list of contributors in the README CI #173: Commit 30bab85 pushed by RaphaelRobidas
July 17, 2023 21:05 1m 7s main
main
July 17, 2023 21:05 1m 7s
Fixed docs and minor tweaks CI #172: Commit 529d38a pushed by RaphaelRobidas
July 15, 2023 13:12 58s main
main
July 15, 2023 13:12 58s
Merge pull request #16 from zarkoivkovicc/nwchem CI #171: Commit 65f996a pushed by RaphaelRobidas
July 15, 2023 13:02 52s main
main
July 15, 2023 13:02 52s
Nwchem Final GSoC Project CI #170: Pull request #16 synchronize by zarkoivkovicc
July 15, 2023 12:37 49s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
July 15, 2023 12:37 49s
Nwchem Final GSoC Project CI #169: Pull request #16 synchronize by zarkoivkovicc
July 15, 2023 10:33 53s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
July 15, 2023 10:33 53s
Nwchem Final GSoC Project CI #168: Pull request #16 synchronize by zarkoivkovicc
July 15, 2023 08:04 59s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
July 15, 2023 08:04 59s
Nwchem Final GSoC Project CI #167: Pull request #16 synchronize by zarkoivkovicc
July 14, 2023 15:43 1m 19s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
July 14, 2023 15:43 1m 19s
Nwchem Final GSoC Project CI #166: Pull request #16 opened by zarkoivkovicc
July 13, 2023 16:25 52s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
July 13, 2023 16:25 52s
Merge pull request #14 from zarkoivkovicc/nwchem CI #165: Commit 3207f91 pushed by RaphaelRobidas
June 27, 2023 16:00 1m 3s main
main
June 27, 2023 16:00 1m 3s
Nwchem changed implementation of constraints and blocked scan attempts CI #164: Pull request #14 synchronize by zarkoivkovicc
June 27, 2023 14:14 55s zarkoivkovicc:nwchem
zarkoivkovicc:nwchem
June 27, 2023 14:14 55s
Merge pull request #12 from lauragranmar/psi4 CI #163: Commit a0030d7 pushed by RaphaelRobidas
June 22, 2023 16:07 54s main
main
June 22, 2023 16:07 54s