grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

FortranCCMakeMesonTeXShelltight-bindingcomputational-chemistryquantum-chemistryforce-fieldatomistic-simulations
This is stars and forks stats for /grimme-lab/xtb repository. As of 29 Mar, 2024 this repository has 471 stars and 122 forks.

Semiempirical Extended Tight-Binding Program Package This is the offical repository of the xtb program package developed by the Grimme group in Bonn. Installation Statically linked binaries (Intel Compiler) can be found at the latest release page, a version for Linux (Intel 18.0.2, GLIBC 2.19) and Windows (Intel 2022) is provided. The xtb program and library are packaged on conda-forge for Linux (x86_64, aarch64, ppc64le) and MacOS (x86_64, arm64). For homebrew users a custom tap is available at...
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