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[BUG] - ARM installs with poetry do not work because Something isn't working
xtb
does not have an ARM build on pypi
bug
#44
opened Aug 22, 2024 by
coltonbh
[FEATURE] - Add optimizations with Sella/ASE
enhancement
New feature or request
#33
opened Jul 8, 2024 by
avcopan
[FEATURE] Move update_func up to just New feature or request
BaseAdapter.compute()
call
enhancement
#30
opened Jun 13, 2024 by
coltonbh
[Add TeraChem Optimization] CalcType
enhancement
New feature or request
#28
opened May 7, 2024 by
coltonbh
geometric logs (DualOutputHandler) update to handle any arbitrary update function instead of just print_stdout
enhancement
New feature or request
#19
opened Jan 12, 2024 by
coltonbh
Qcop CLI for comverting xyz file to printed out array of arrays in bohr
enhancement
New feature or request
#16
opened Jan 10, 2024 by
coltonbh
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