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Documentation for reconstructing square distance matrix from
self_distance_array
is incorrect.
Component-Docs
#4731
opened Oct 13, 2024 by
hmacdope
Cannot read default LAMMPS H5MD file out of the box due to lack of
units
tag
#4722
opened Oct 1, 2024 by
hmacdope
Warn about and deprecate element guessing in ITP parser
Component-Topology
deprecation
Deprecated functionality to give advance warning for API changes.
Format-Gromacs
usability
MDAnalysis.analysis.msd
: Implement parallelization or mark as unparallelizable
Component-Analysis
help wanted
parallelization
#4676
opened Aug 20, 2024 by
marinegor
MDAnalysis.analysis.rdf
: Implement parallelization or mark as unparallelizable
Component-Analysis
help wanted
parallelization
#4675
opened Aug 20, 2024 by
marinegor
MDAnalysis.analysis.align
Implement parallelization or mark as unparallelizable
Component-Analysis
help wanted
parallelization
#4659
opened Aug 17, 2024 by
marinegor
Add tests checking instance of
Backend
when progressbar is supposed to be displayed
parallelization
#4657
opened Aug 16, 2024 by
marinegor
MAINT: a few mutable default arguments are back
good-first-issue
help wanted
maintainability
#4655
opened Aug 15, 2024 by
tylerjereddy
Test missing aggregation function when
require_all_aggregators=True
Component-Analysis
parallelization
#4650
opened Aug 5, 2024 by
marinegor
Error when
n_workers
specified twice should be tested
Component-Analysis
parallelization
#4649
opened Aug 5, 2024 by
marinegor
Test incompatibility of
start/stop/step
and frames
in AnalysisBase.run(...)
Component-Analysis
parallelization
#4648
opened Aug 5, 2024 by
marinegor
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