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Add -maxtau option to gmx msd
2021-10-26
Kevin Boyd
Add -maxtau option to gmx msd
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2021-10-24
Kevin Boyd
Update release notes for gmx msd and clear some TODOs
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2021-04-13
Kevin Boyd
Replace static trajectoryanalysismoduledata methods...
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2021-04-13
Kevin Boyd
Add basic position restraints test
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2021-04-12
Kevin Boyd
Prepare SelectionCollection for parallel analysis
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2021-04-10
Kevin Boyd
Clean up leaks
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2021-03-29
Kevin Boyd
Remove unused LSAN suppressions
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2021-03-22
Kevin Boyd
Clean up leaks in t_inputrec
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2021-03-16
Kevin Boyd
Migrate gmx msd to the trajectoryanalysis framework
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2021-03-14
Kevin Boyd
Fix leak in cpp_opts
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2021-01-05
Kevin Boyd
Fix broken random seed generation.
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2021-01-05
Kevin Boyd
Fix broken random seed generation.
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2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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2020-07-08
Kevin Boyd
Use signed arithmetic in enumeration helper
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2020-07-08
Kevin Boyd
Enforce unsigned type in flags.
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2020-07-07
Kevin Boyd
Fix unsigned integer overflow bug in spline tables
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2020-07-07
Kevin Boyd
Add stricter ASAN checks
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2020-07-06
Kevin Boyd
Avoid overflow in RNG
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2020-07-03
Kevin Boyd
Fix segfault in gmx genrestr.
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2020-06-23
Kevin Boyd
[WIP] Run regression tests under ASAN
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2020-06-08
Kevin Boyd
Replace nbnxn_buffer_flags_t with vector
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2020-05-24
Kevin Boyd
Clean up grompp memory leaks in rotation and pull structures.
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2020-05-23
Kevin Boyd
Fix small typo in gmx 2020 release notes
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2020-04-08
Kevin Boyd
Fix line overrun in log file
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