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Nix-QChem / NixOS-QChem Public

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Fork 16
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XTB updates#250

Merged

markuskowa merged 16 commits into

Nix-QChem:masterNix-QChem/NixOS-QChem:masterfrom

sheepforce:xtbsheepforce/NixOS-QChem:xtbCopy head branch name to clipboard

Feb 24, 2023

Conversation Commits16 (16)Checks Files changed

Merged

XTB updates#250
markuskowa merged 16 commits into
Nix-QChem:masterfrom
sheepforce:xtb

Commits

Commits on Feb 24, 2023

toml-f: init at 0.3.1
sheepforce
committed
mctc-lib: 0.3.0 -> 0.3.1
sheepforce
committed
mstore: init at 0.2.0
sheepforce
committed
dftd4: init at 3.5.0
sheepforce
committed
multicharge: init at 0.2.0
sheepforce
committed
simple-dftd3: init at 0.7.0
sheepforce
committed
tblite: init at 0.3.0
sheepforce
committed
xtb: 6.5.1 -> 6.6.0
sheepforce
committed
xtb: include patch for Hessian calculation
sheepforce
committed
xtb-python: 20.2 -> 22.1
sheepforce
committed
tblite: build python bindings
sheepforce
committed
fypp: init at 3.1
sheepforce
committed
mpifx: init at 1.3.1
sheepforce
committed
scalapackfx: init at 1.1
sheepforce
committed
dftbplus: init at 22.2
sheepforce
committed
pysisyphus: 0.7.6post3 -> 0.8.0a0, remove --acc flag from xtb
sheepforce
committed

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