Issues

• tblite library issue MacOS arm64

  grimme-lab/xtb_docs#125 · Filter by author Teo-98 opened on Nov 15, 2024

• xtb Dynamic -strentch

  grimme-lab/xtb_docs#124 · Filter by author ghost opened on Nov 13, 2024

• No density file is written with --spinpol option

  grimme-lab/xtb_docs#117 · Filter by author zilviuz opened on Jan 15, 2024
  2

• Issue with installing xtb locally

  grimme-lab/xtb_docs#103 · Filter by author ayanchem opened on Aug 30, 2023

• Plotting IR spectra

  grimme-lab/xtb_docs#102 · Filter by author danieleveclani opened on Aug 29, 2023

• aISS example check

  grimme-lab/xtb_docs#95 · Filter by author joegair opened on Mar 23, 2023

• UHF in xtb

  grimme-lab/xtb_docs#94 · Filter by author WentongZhou opened on Mar 23, 2023

• About excluding constrained atoms in the RMSD atom list in MTD

  crest
  grimme-lab/xtb_docs#78 · Filter by author SebastianWellig opened on May 2, 2022

• Indexing in constrain file

  xtb
  grimme-lab/xtb_docs#76 · Filter by author andre-cloud opened on Mar 21, 2022
  1

• ABCluster has implemented xTB as an energy evaluation engine

  xtb
  grimme-lab/xtb_docs#63 · Filter by author ZhangJunQCC opened on Nov 13, 2021

• Reparametrization Instructions

  enhancementxtb
  grimme-lab/xtb_docs#41 · Filter by author jolayfield opened on Jul 23, 2020
  9

• updates on the documents: implicit solvation & detailed input & geometry optimization

  xtb
  grimme-lab/xtb_docs#38 · Filter by author shuxiansheng2 opened on Jul 11, 2020
  3

• ENSO nmrplot experimental data

  grimme-lab/xtb_docs#36 · Filter by author PikachuSauvage opened on Jun 21, 2020
  2

• Examples of MTD

  crestxtb
  grimme-lab/xtb_docs#20 · Filter by author dengsusu opened on Nov 30, 2019
  1

• Exited States Calculations with “xTB”

  help wantedstda
  grimme-lab/xtb_docs#19 · Filter by author awvwgk opened on Nov 28, 2019