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11 Open 105 Closed
11 Open 105 Closed
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Issues list

Sire::IO::SDF can't handle a stereo value of 3 bug Something isn't working
#270 opened Dec 19, 2024 by avnikonenko
@lohedges
3
[REMINDER] Remove optimised Sire QM/MM callback interface
#269 opened Dec 16, 2024 by lohedges
@lohedges
[BUG] Windows CI build is failing bug Something isn't working
#268 opened Dec 16, 2024 by lohedges
2
[BUG] Frames and energies are always saved after dynamics.run() bug Something isn't working
#256 opened Oct 29, 2024 by lohedges
@lohedges
2
debug mode for alchemical trajectory analyses enhancement New feature or request
#231 opened Sep 13, 2024 by jmichel80
[BUG] Trajectories are not properly stored after mols.delete_all_frames() is called. bug Something isn't working
#218 opened Jul 25, 2024 by mb2055
16
[BUG] SOMD "charge difference" option only works from the command-line bug Something isn't working
#212 opened Jul 24, 2024 by lohedges
Add trajectory sorting function
#191 opened Apr 27, 2024 by chryswoods 2024.3.0
[BUG] Update cmake version as upcoming deprecation bug Something isn't working
#184 opened Mar 31, 2024 by chryswoods 2024.3.0
2
Add support for reading Gromacs FEP topology files enhancement New feature or request
#169 opened Feb 23, 2024 by chryswoods 2024.3.0
2
somd-freenrg crashes when ligand atoms are completely non-interacting bug Something isn't working
#100 opened Aug 25, 2023 by fjclark 2024.3.0
26
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