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13 Open 16 Closed
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Issues list

No density file is written with --spinpol option
#117 opened Jan 15, 2024 by zilviuz
2
Issue with installing xtb locally
#103 opened Aug 30, 2023 by ayanchem
Plotting IR spectra
#102 opened Aug 29, 2023 by danieleveclani
aISS example check
#95 opened Mar 23, 2023 by joegair
UHF in xtb
#94 opened Mar 23, 2023 by WentongZhou
About excluding constrained atoms in the RMSD atom list in MTD crest Related to the conformer–rotamer ensemble sampling tool
#78 opened May 2, 2022 by SebastianWellig
Indexing in constrain file xtb Related to the extended tight binding program package
#76 opened Mar 21, 2022 by andre-cloud
1
ABCluster has implemented xTB as an energy evaluation engine xtb Related to the extended tight binding program package
#63 opened Nov 13, 2021 by ZhangJunQCC
Reparametrization Instructions enhancement New feature or request xtb Related to the extended tight binding program package
#41 opened Jul 23, 2020 by jolayfield
9
updates on the documents: implicit solvation & detailed input & geometry optimization xtb Related to the extended tight binding program package
#38 opened Jul 11, 2020 by shuxiansheng2
3
ENSO nmrplot experimental data
#36 opened Jun 21, 2020 by PikachuSauvage
2
Examples of MTD crest Related to the conformer–rotamer ensemble sampling tool xtb Related to the extended tight binding program package
#20 opened Nov 30, 2019 by dengsusu
1
Exited States Calculations with “xTB” help wanted Extra attention is needed stda Related to the stda program for computing excited states and response functions
#19 opened Nov 28, 2019 by awvwgk
@liljay42 @mdewergi
ProTip! Exclude everything labeled bug with -label:bug.