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- Status: Open.#125 In grimme-lab/xtb_docs;
- Status: Open.#124 In grimme-lab/xtb_docs;
- Status: Open.#117 In grimme-lab/xtb_docs;
- Status: Open.#103 In grimme-lab/xtb_docs;
- Status: Open.#102 In grimme-lab/xtb_docs;
- Status: Open.#95 In grimme-lab/xtb_docs;
- Status: Open.#94 In grimme-lab/xtb_docs;
About excluding constrained atoms in the RMSD atom list in MTD
crestRelated to the conformer–rotamer ensemble sampling toolRelated to the conformer–rotamer ensemble sampling toolStatus: Open.#78 In grimme-lab/xtb_docs;Indexing in constrain file
xtbRelated to the extended tight binding program packageRelated to the extended tight binding program packageStatus: Open.#76 In grimme-lab/xtb_docs;ABCluster has implemented xTB as an energy evaluation engine
xtbRelated to the extended tight binding program packageRelated to the extended tight binding program packageStatus: Open.#63 In grimme-lab/xtb_docs;Reparametrization Instructions
enhancementNew feature or requestNew feature or requestxtbRelated to the extended tight binding program packageRelated to the extended tight binding program packageStatus: Open.#41 In grimme-lab/xtb_docs;updates on the documents: implicit solvation & detailed input & geometry optimization
xtbRelated to the extended tight binding program packageRelated to the extended tight binding program packageStatus: Open.#38 In grimme-lab/xtb_docs;