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Issues list

work
#111 by SamikBose was closed Oct 20, 2023
Gracefully handle missing velocities in initial states bug
#103 by salotz was closed Oct 14, 2023
1
1
Replace simtk.openmm with openmm bug
#89 by salotz was closed Oct 9, 2023 Proper 1.2 version
1
@salotz
Handle logging properly bug enhancement
#88 by salotz was closed Oct 9, 2023 Proper 1.2 version
@salotz
Format Codebase devex enhancement
#83 by salotz was closed Oct 9, 2023 Proper 1.2 version
1
1
multiple GPU
#73 by BK33333 was closed Aug 31, 2023
2
Add h5clear commands to FAQ documentation
#47 by salotz-sitx was closed Oct 9, 2023
traj_fields_to_mdtraj gets topology incorrectly
#43 by salotz-sitx was closed Aug 31, 2023
1
Saving Pressure in reporter
#39 by salotz-sitx was closed Aug 31, 2023
2
No buffer space available error in TaskMapper
#36 by salotz-sitx was closed Sep 15, 2021
2
Add githook for deploying documentation
#35 by salotz-sitx was closed Aug 31, 2023
Remove Eliot Logging dependencies Pull requests that update a dependency file enhancement
#33 by salotz-sitx was closed Oct 9, 2023 2.0 Release
Update the OpenMM installation instructions
#30 by salotz-sitx was closed Jul 25, 2021
@salotz-sitx
1
BC and REVO Resampler dashboard section not reporting correct information. enhancement
#27 by dixonth1silicon was closed Oct 9, 2023
3
RebindingBC Bug
#25 by dixonth1silicon was closed May 20, 2021
1
Add gitter link to readme and community pages
#20 by salotz-sitx was closed Sep 15, 2021
@salotz-sitx
1
typo in RebindingBC superclass call
#17 by salotz-sitx was closed Aug 31, 2023
@salotz-sitx
Remove dependency on image_distance being an array breaking enhancement
#16 by salotz-sitx was closed Oct 9, 2023 Proper 1.2 version
2
Add method to remove observables from HDF5
#11 by salotz was closed Aug 31, 2023
ContigTree and lineages functions without boundary condition discontinuities
#10 by salotz was closed Nov 13, 2020
1
Wepy h5 record_fields error in running `run_resampling_panel' function
#9 by ndonyapour was closed Nov 13, 2020
2
Add "weighted transition counts" function
#5 by salotz was closed Aug 3, 2020
1
WepyHDF5.compute_observable only saves last cycle of data to observable field
#3 by salotz was closed Aug 3, 2020
1
Passage time is always recorded as 208 in Lennard_Jones test system for unbinding warp aux_data
#1 by salotz was closed May 7, 2018
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