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15 Open 25 Closed
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Issues list

Geomtry optimization w/ all rotatable bonds fixed [feature request]
#50 opened May 22, 2024 by UnixJunkie
Wrong RESP GRID?
#49 opened Mar 19, 2024 by mireklzicar
Iodine issue
#48 opened Sep 18, 2023 by thegodone
'psi4.core' has no attribute 'opt_clean'
#47 opened Sep 12, 2023 by Rdk0
Fatal Error: PsiOutStream: Failed to open file /dev/null.
#46 opened Sep 8, 2023 by Rdk0
The HOMO LUMO calculation equation need to confirm
#44 opened Dec 29, 2022 by wangyingxie
1
dihedral/torsion scan
#42 opened May 12, 2022 by btatsis
2
Does not support python3.7+ enhancement New feature or request
#41 opened Oct 22, 2020 by Zymergen-jvandezande
@iwatobipen
4
Two stage RESP fit question Further information is requested
#39 opened Jul 17, 2020 by kexul
@iwatobipen
3
Showing version enhancement New feature or request
#38 opened Dec 11, 2019 by kzfm
SAPT makes extra directories and files invalid This doesn't seem right
#36 opened Nov 7, 2019 by kzfm
@iwatobipen
1
default basis sets is too heavy invalid This doesn't seem right
#35 opened Nov 7, 2019 by kzfm
@iwatobipen
2
Charge and multiplicity bug Something isn't working
#31 opened Aug 23, 2019 by HenriqueCSJ
@kzfm
4
Need to update install procedure in README.md
#15 opened May 20, 2019 by iwatobipen
@iwatobipen
Capability of calculating IP and EA enhancement New feature or request
#3 opened Feb 2, 2019 by kzfm
@kzfm @iwatobipen
1
ProTip! Follow long discussions with comments:>50.