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Functionalities to incorporate rotational averaging in i-PI (#372) Documentation #64: Commit 9f2c98d pushed by ceriottm
December 24, 2024 22:07 1m 37s main
main
December 24, 2024 22:07 1m 37s
Merge pull request #409 from lab-cosmo/fix_read_traj Documentation #63: Commit e0d5b7b pushed by ceriottm
December 1, 2024 18:32 1m 36s main
main
December 1, 2024 18:32 1m 36s
update xtb client (#407) Documentation #62: Commit 1f7606c pushed by ceriottm
November 29, 2024 13:32 1m 46s main
main
November 29, 2024 13:32 1m 46s
A "direct" FF using the same PES interfaces as the python driver (#390) Documentation #61: Commit 0e70ec2 pushed by ceriottm
November 12, 2024 21:10 1m 51s main
main
November 12, 2024 21:10 1m 51s
Making the dummy driver pass a json-formatted string for extras field… Documentation #60: Commit ffce0d3 pushed by ceriottm
November 12, 2024 10:12 5m 42s main
main
November 12, 2024 10:12 5m 42s
Update documentation workflow to deploy to docs.ipi-code.org Documentation #59: Commit f6904b8 pushed by ceriottm
October 14, 2024 11:07 1m 24s main
main
October 14, 2024 11:07 1m 24s
Merge pull request #376 from V-Alizade/xtb Documentation #58: Commit 2fbe936 pushed by ceriottm
October 12, 2024 10:12 1m 18s main
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October 12, 2024 10:12 1m 18s
More fixed links Documentation #57: Commit 9e73d52 pushed by ceriottm
September 30, 2024 08:14 1m 35s main
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September 30, 2024 08:14 1m 35s
Merge pull request #380 from i-pi/force-clone Documentation #56: Commit 15f9083 pushed by ceriottm
September 25, 2024 18:29 1m 44s main
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September 25, 2024 18:29 1m 44s
Added authors information for the demos Documentation #55: Commit 6457699 pushed by ceriottm
June 18, 2024 22:05 1m 24s main
main
June 18, 2024 22:05 1m 24s
Merge pull request #349 from i-pi/gh_page_update Documentation #54: Commit 59117c2 pushed by ceriottm
June 15, 2024 16:46 1m 31s master
master
June 15, 2024 16:46 1m 31s
Add rudimentary parsing of literals to PET driver (#341) Documentation #53: Commit 453fa33 pushed by ceriottm
June 5, 2024 12:59 1m 25s master
master
June 5, 2024 12:59 1m 25s
Merge pull request #339 from tbegusic/demos/2D-IR-Raman-update Documentation #52: Commit 2d74d4a pushed by ceriottm
June 3, 2024 14:52 1m 52s master
master
June 3, 2024 14:52 1m 52s
Update PET driver to work with current code (#334) Documentation #51: Commit 231d157 pushed by ceriottm
May 15, 2024 18:31 1m 28s master
master
May 15, 2024 18:31 1m 28s
Better PLUMED interface (#330) Documentation #50: Commit 8fdf525 pushed by ceriottm
April 23, 2024 06:00 2m 8s master
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April 23, 2024 06:00 2m 8s
Merge pull request #323 from janberges/elphmod Documentation #49: Commit 75cdc7b pushed by ceriottm
April 20, 2024 07:20 1m 42s master
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April 20, 2024 07:20 1m 42s
Update version numbers (oops) (#327) Documentation #48: Commit 021b798 pushed by ceriottm
April 16, 2024 19:17 1m 40s master
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April 16, 2024 19:17 1m 40s
Another round of performance improvements based on profiling (#317) Documentation #47: Commit 2962ff5 pushed by ceriottm
April 15, 2024 22:21 1m 22s master
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April 15, 2024 22:21 1m 22s
Weighted baseline example with JSON committee (#318) Documentation #46: Commit c24bca1 pushed by ceriottm
March 8, 2024 10:59 1m 54s master
master
March 8, 2024 10:59 1m 54s
Allow passing committee data in the extras as a JSON string (#314) Documentation #45: Commit 59c56e0 pushed by Luthaf
March 5, 2024 15:57 1m 33s master
master
March 5, 2024 15:57 1m 33s
Full depend object implementation of ExchangePotential (#311) Documentation #44: Commit 209fe59 pushed by Luthaf
February 27, 2024 10:06 1m 36s master
master
February 27, 2024 10:06 1m 36s
Fixed PET and rascal drivers (#310) Documentation #43: Commit 6e9ae0a pushed by ceriottm
February 18, 2024 10:37 1m 26s master
master
February 18, 2024 10:37 1m 26s
Merge pull request #307 from sabia-group/bug/fix-comment Documentation #42: Commit e31187e pushed by ceriottm
February 2, 2024 12:00 2m 12s master
master
February 2, 2024 12:00 2m 12s
Examples cleanup part 4 (#283) Documentation #41: Commit 005b77b pushed by Luthaf
January 25, 2024 17:18 1m 17s master
master
January 25, 2024 17:18 1m 17s
A bunch of profiling-driven optimization for i-PI Documentation #40: Commit 5e86329 pushed by ceriottm
December 4, 2023 01:48 1m 30s master
master
December 4, 2023 01:48 1m 30s