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25 Open 26 Closed
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Issues list

Haptic device requires sudo permissions, file loadin doesn't support sudo permissions
#74 opened Mar 30, 2022 by grahamstockton
@grahamstockton
Export MD to ase
#73 opened Mar 2, 2022 by grahamstockton
@grahamstockton
Change all LJ-dependent var and file names enhancement New feature or request good first issue Good for newcomers
#66 opened Jan 28, 2022 by grahamstockton
2022 -- State of branches, code, etc.
#65 opened Jan 25, 2022 by grahamstockton
Needed: Good pyamff calculator model that outputs accurate forces help wanted Extra attention is needed python This issue will deal with python code
#64 opened Jul 22, 2021 by grahamstockton
Failure to import LennardJones in calculator.py
#62 opened Jul 21, 2021 by grahamstockton
1
Energy discrepancies between LJ methods bug Something isn't working c api This issue will deal with calling python from C++ good first issue Good for newcomers python This issue will deal with python code
#61 opened Jul 20, 2021 by grahamstockton
Windows support may be easy with some WSL2/Xming/GLX version control magic enhancement New feature or request
#60 opened Jul 13, 2021 by grahamstockton
1
pyammf reinitialized every time pyamffGetValues() is called good first issue Good for newcomers
#58 opened Jul 12, 2021 by grahamstockton
Remove unnecessary files in PyAMFF folder
#57 opened Jul 8, 2021 by grahamstockton
Move calculator specification into LJ.cpp from calculator.py c api This issue will deal with calling python from C++ good first issue Good for newcomers python This issue will deal with python code
#56 opened Jul 8, 2021 by grahamstockton
Edit atom class to have atomic information enhancement New feature or request
#53 opened Jul 6, 2021 by grahamstockton
Scaling pyamff is likely not correct
#51 opened Jul 6, 2021 by grahamstockton
Removing globals from lj.cpp
#50 opened Jul 1, 2021 by grahamstockton
@grahamstockton
File io standard enhancement New feature or request
#49 opened Jul 1, 2021 by grahamstockton
@grahamstockton
Moving towards file io, elements, DFT enhancement New feature or request
#48 opened Jun 22, 2021 by grahamstockton
@grahamstockton
Shadows on the edges of the atoms good first issue Good for newcomers
#46 opened Mar 11, 2020 by mktle
1
Implement slabs enhancement New feature or request
#41 opened Jul 1, 2019 by ReynaW
@ReynaW
4
Atoms sometimes breaking through boundary limits bug Something isn't working
#40 opened Jun 28, 2019 by ReynaW
Atoms flying off bug Something isn't working
#38 opened Jun 25, 2019 by styu99
@styu99
1
Use haptic device to control camera while frozen enhancement New feature or request
#35 opened Jun 20, 2019 by ReynaW
Set up logging enhancement New feature or request
#34 opened Jun 20, 2019 by styu99
Notifications enhancement New feature or request good first issue Good for newcomers
#19 opened Jun 11, 2019 by styu99
3 of 4 tasks
3
Separate the code for calculations enhancement New feature or request
#15 opened Apr 19, 2019 by styu99
1 of 2 tasks
@styu99 @grahamstockton @mktle
3
Shaking problems still persist bug Something isn't working
#9 opened Mar 15, 2019 by styu99
@styu99 @alex-chiu
7
ProTip! Adding no:label will show everything without a label.