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Issues list

Bug in KineticEnergyLogger
#51 by jrdegreeff was closed Feb 11, 2022
1
Performance suggestions
#6 by SebastianM-C was closed Feb 6, 2025
2 tasks done
9
Registration
#10 by SebastianM-C was closed Jul 3, 2020
4
Improving tests
#11 by SebastianM-C was closed Apr 19, 2023
4
GPU compatibility
#16 by SebastianM-C was closed Apr 19, 2023
5
Progress logging suggestions
#18 by SebastianM-C was closed Apr 19, 2023
2
Consider tagging a release
#19 by SebastianM-C was closed Sep 8, 2020
1
UndefVarError: record not defined
#28 by ederag was closed Dec 27, 2020
1
Handling invalid numerical parameters
#34 by jrdegreeff was closed Sep 28, 2021
3
Example protein simulation does not work properly
#38 by axsk was closed May 19, 2021
2
Request: clarifying units that Molly uses
#39 by ehgus was closed Sep 28, 2021
2
Access coordinates of different time steps and use it for differential learning.
#47 by moradza was closed Apr 19, 2023
4
Docs are down
#3 by bionicles was closed May 18, 2020
1
Most of the examples has bugs with version 0.7.0
#50 by skycolt was closed Feb 4, 2022
Fix shifted force cutoff potential calculation
#53 by noeblassel was closed Feb 24, 2022
2
Inconsistency with AtomsBase interface
#55 by jrdegreeff was closed Mar 9, 2022
1
3
GPU tests fail on GTX970 and P100
#57 by leios was closed Apr 19, 2023
7
Straight angle may produce NaNs in HarmonicAngle
#58 by tverho was closed Mar 22, 2022
1
Differentiable GPU kernels
#60 by jgreener64 was closed Feb 6, 2025
17
FENE bond and Cosine angle potential
#73 by ehsanirani was closed Jul 10, 2022
3
Error in Testing of Molly.jl
#78 by iajzenszmi was closed Jul 22, 2022
3
Precompilation error due to changes in Zygote.jl
#79 by JaydevSR was closed Aug 1, 2022
2
Compilation failed for Julia 1.73 and 1.8 on Apple M1 chip
#80 by jty-computation was closed Aug 30, 2022
5
Dead link in force.jl
#90 by jty-computation was closed Aug 19, 2022
1
Example in Documentation Broken
#196 by cdelv was closed Feb 19, 2025
2
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