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ReaDuct allows you to carry out structure optimizations, transition state searches and intrinsic reaction coordinate (IRC) calculations among other things

copied from cf-staging / scine-readuct
Type Size Name Uploaded Downloads Labels
conda 472.6 kB | osx-64/scine-readuct-3.0.0-h4789766_1.tar.bz2  3 years and 3 months ago 84 main
conda 12.8 MB | linux-ppc64le/scine-readuct-3.0.0-h4e2eaed_1.tar.bz2  3 years and 3 months ago 43 main
conda 12.6 MB | linux-aarch64/scine-readuct-3.0.0-h5cdbd54_1.tar.bz2  3 years and 3 months ago 78 main
conda 376.8 kB | osx-arm64/scine-readuct-3.0.0-h8151dbe_1.tar.bz2  3 years and 3 months ago 88 main
conda 12.7 MB | linux-64/scine-readuct-3.0.0-h108e910_1.tar.bz2  3 years and 3 months ago 2448 main
conda 477.9 kB | osx-64/scine-readuct-3.0.0-h4789766_0.tar.bz2  3 years and 3 months ago 87 main
conda 12.6 MB | linux-64/scine-readuct-3.0.0-h108e910_0.tar.bz2  3 years and 3 months ago 2535 main

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