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interface integration
enhancement
New feature or request
#48
opened May 30, 2022 by
thegodone
updated May 31, 2022
Charge indicators on atom names seem to have no effect.
enhancement
New feature or request
#40
opened May 13, 2022 by
paulsaxe
updated Jun 21, 2022
NMR calculations and pH
enhancement
New feature or request
#84
opened Jun 27, 2022 by
flatstik
updated Jun 30, 2022
GPU support?
enhancement
New feature or request
#32
opened May 7, 2022 by
flatstik
updated Oct 6, 2022
Support for SLURM?
enhancement
New feature or request
#33
opened May 7, 2022 by
flatstik
updated Oct 25, 2022
Script for generating AM1-BCC charges?
enhancement
New feature or request
#94
opened Jul 5, 2022 by
ghutchis
updated Feb 10, 2023
Missing TOTAL ENERGY, ELECTRONIC ENERGY, and CORE-CORE REPULSION
wontfix
This will not be worked on
#66
opened Jun 21, 2022 by
godotalgorithm
updated Apr 28, 2023
NQH-flipper
enhancement
New feature or request
#83
opened Jun 27, 2022 by
flatstik
updated Jun 29, 2023
SAS area discontinuities in COSMO tessellation
#163
opened Jul 2, 2023 by
godotalgorithm
updated Jul 10, 2023
Expand test coverage
good first issue
Good for newcomers
help wanted
Extra attention is needed
#65
opened Jun 21, 2022 by
godotalgorithm
updated Jul 12, 2023
Numerical problems with small unit cells
#212
opened Sep 9, 2024 by
godotalgorithm
updated Sep 9, 2024
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