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Fixed units conversion in parser in a smarter way
Regression and unitary tests #643: Commit 3d89bac pushed by ceriottm
November 28, 2024 23:38 3m 32s fix_read_traj
November 28, 2024 23:38 3m 32s
Improved handling of other trajectory types
Lint #642: Commit fda7aec pushed by ceriottm
November 28, 2024 12:27 32s fix_read_traj
November 28, 2024 12:27 32s
Improved handling of other trajectory types
Regression and unitary tests #642: Commit fda7aec pushed by ceriottm
November 28, 2024 12:27 3m 41s fix_read_traj
November 28, 2024 12:27 3m 41s
Remove debug print
Regression and unitary tests #641: Commit 16dadfb pushed by ceriottm
November 21, 2024 00:07 3m 31s fix_read_traj
November 21, 2024 00:07 3m 31s
Remove debug print
Lint #641: Commit 16dadfb pushed by ceriottm
November 21, 2024 00:07 27s fix_read_traj
November 21, 2024 00:07 27s
Fix traj parsing
Lint #640: Commit ab08e91 pushed by ceriottm
November 21, 2024 00:05 30s fix_read_traj
November 21, 2024 00:05 30s
Fix traj parsing
Regression and unitary tests #640: Commit ab08e91 pushed by ceriottm
November 21, 2024 00:05 3m 44s fix_read_traj
November 21, 2024 00:05 3m 44s
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
November 12, 2024 21:10 1m 51s
A "direct" FF using the same PES interfaces as the python driver (#390)
Regression and unitary tests #639: Commit 0e70ec2 pushed by ceriottm
November 12, 2024 21:10 3m 41s main
November 12, 2024 21:10 3m 41s
November 12, 2024 21:10 28s
oops
Regression and unitary tests #638: Commit 28d2d16 pushed by ceriottm
November 12, 2024 20:58 3m 35s ffdirect
November 12, 2024 20:58 3m 35s
oops
Lint #638: Commit 28d2d16 pushed by ceriottm
November 12, 2024 20:58 30s ffdirect
November 12, 2024 20:58 30s
Fixed warning(s)
Lint #637: Commit 88bab89 pushed by ceriottm
November 12, 2024 20:54 30s ffdirect
November 12, 2024 20:54 30s
Fixed warning(s)
Regression and unitary tests #637: Commit 88bab89 pushed by ceriottm
November 12, 2024 20:54 3m 35s ffdirect
November 12, 2024 20:54 3m 35s
November 12, 2024 20:46 30s
Added warning for all PES modules that have not been tested explicitly.
Regression and unitary tests #636: Commit f7dc29d pushed by ceriottm
November 12, 2024 20:46 3m 38s ffdirect
November 12, 2024 20:46 3m 38s
Hidden linter failure ^^
Regression and unitary tests #635: Commit 1f19d59 pushed by ceriottm
November 12, 2024 20:39 3m 51s ffdirect
November 12, 2024 20:39 3m 51s
Hidden linter failure ^^
Lint #635: Commit 1f19d59 pushed by ceriottm
November 12, 2024 20:39 30s ffdirect
November 12, 2024 20:39 30s
Added some docs for ffdirect
Regression and unitary tests #634: Commit 5112132 pushed by ceriottm
November 12, 2024 20:25 3m 54s ffdirect
November 12, 2024 20:25 3m 54s
Added some docs for ffdirect
Lint #634: Commit 5112132 pushed by ceriottm
November 12, 2024 20:25 29s ffdirect
November 12, 2024 20:25 29s
Fixed the last (?) error in the tests
Regression and unitary tests #633: Commit 651c3ca pushed by ceriottm
November 12, 2024 20:00 3m 43s ffdirect
November 12, 2024 20:00 3m 43s
Fixed the last (?) error in the tests
Lint #633: Commit 651c3ca pushed by ceriottm
November 12, 2024 20:00 33s ffdirect
November 12, 2024 20:00 33s
Merge branch 'main' into ffdirect
Regression and unitary tests #632: Commit cc05061 pushed by venkatkapil24
November 12, 2024 17:42 3m 43s ffdirect
November 12, 2024 17:42 3m 43s
Merge branch 'main' into ffdirect
Lint #632: Commit cc05061 pushed by venkatkapil24
November 12, 2024 17:42 28s ffdirect
November 12, 2024 17:42 28s
lint
Regression and unitary tests #631: Commit fb1aea5 pushed by litman90
November 12, 2024 17:33 3m 46s ffdirect
November 12, 2024 17:33 3m 46s