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12 Open 3 Closed
12 Open 3 Closed
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Issues list

some problem when installing autosolvate in PASCAL
#55 opened Jul 3, 2024 by SangniXun
UNL couldn't be found in amino acid xyz.
#37 opened Jan 24, 2024 by SangniXun
test case progression bug Something isn't working
#28 opened Jan 5, 2023 by BrandeisPatrick
2 of 3 tasks
@BrandeisPatrick
7
dataclass update() possible of contamination
#27 opened Jan 5, 2023 by BrandeisPatrick
.lib files that do not need to be explicitly provided (ex. solvent.lib) help wanted Extra attention is needed
#26 opened Jan 4, 2023 by BrandeisPatrick
1 task
recursion warning in update.py invalid This doesn't seem right
#25 opened Jan 4, 2023 by BrandeisPatrick
2 tasks
@BrandeisPatrick
check_mol() in Docker classes need discussion and validation bug Something isn't working
#24 opened Jan 3, 2023 by BrandeisPatrick
@BrandeisPatrick
issue in the tutorial webpage documentation Improvements or additions to documentation help wanted Extra attention is needed
#23 opened Jan 3, 2023 by BrandeisPatrick
@BrandeisPatrick
1
add new import multipledispatch enhancement New feature or request
#22 opened Jan 2, 2023 by BrandeisPatrick
@BrandeisPatrick
propose a consistent naming scheme .lib files enhancement New feature or request
#21 opened Jan 2, 2023 by BrandeisPatrick
@BrandeisPatrick
output file arrangement enhancement New feature or request
#19 opened Dec 19, 2022 by BrandeisPatrick
@BrandeisPatrick
srun usage enhancement New feature or request
#18 opened Dec 19, 2022 by BrandeisPatrick
@BrandeisPatrick
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