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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 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h491372e_5.tar.bz2  2 years and 1 month ago 33 main
conda 602.8 kB | osx-64/scine-readuct-4.1.0-ha8422f1_5.tar.bz2  2 years and 1 month ago 70 main
conda 486.2 kB | osx-arm64/scine-readuct-4.1.0-h5f84315_5.tar.bz2  2 years and 1 month ago 64 main
conda 14.4 MB | linux-aarch64/scine-readuct-4.1.0-hbc7c29b_5.tar.bz2  2 years and 1 month ago 59 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-h095adac_5.tar.bz2  2 years and 1 month ago 1493 main
conda 598.2 kB | osx-64/scine-readuct-4.1.0-ha8422f1_4.tar.bz2  2 years and 1 month ago 70 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h491372e_4.tar.bz2  2 years and 1 month ago 32 main
conda 14.5 MB | linux-aarch64/scine-readuct-4.1.0-hbc7c29b_4.tar.bz2  2 years and 1 month ago 55 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-h095adac_4.tar.bz2  2 years and 1 month ago 1503 main
conda 486.2 kB | osx-arm64/scine-readuct-4.1.0-h5f84315_4.tar.bz2  2 years and 1 month ago 64 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h2d86c2b_3.tar.bz2  2 years and 3 months ago 37 main
conda 14.4 MB | linux-aarch64/scine-readuct-4.1.0-h9e69175_3.tar.bz2  2 years and 3 months ago 61 main
conda 604.9 kB | osx-64/scine-readuct-4.1.0-h7245f0a_3.tar.bz2  2 years and 3 months ago 76 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-he3004b7_3.tar.bz2  2 years and 3 months ago 1683 main
conda 480.7 kB | osx-arm64/scine-readuct-4.1.0-hf1c6afa_3.tar.bz2  2 years and 3 months ago 66 main
conda 14.4 MB | linux-aarch64/scine-readuct-4.1.0-h9e69175_2.tar.bz2  2 years and 3 months ago 60 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h2d86c2b_2.tar.bz2  2 years and 3 months ago 36 main
conda 598.2 kB | osx-64/scine-readuct-4.1.0-h7245f0a_2.tar.bz2  2 years and 3 months ago 73 main
conda 481.3 kB | osx-arm64/scine-readuct-4.1.0-hf1c6afa_2.tar.bz2  2 years and 3 months ago 67 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-he3004b7_2.tar.bz2  2 years and 3 months ago 1655 main
conda 603.7 kB | osx-64/scine-readuct-4.1.0-h7245f0a_1.tar.bz2  2 years and 3 months ago 72 main
conda 481.2 kB | osx-arm64/scine-readuct-4.1.0-hf1c6afa_1.tar.bz2  2 years and 3 months ago 69 main
conda 14.5 MB | linux-aarch64/scine-readuct-4.1.0-h9e69175_1.tar.bz2  2 years and 3 months ago 61 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h2d86c2b_1.tar.bz2  2 years and 3 months ago 36 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-he3004b7_1.tar.bz2  2 years and 3 months ago 1686 main
conda 595.9 kB | osx-64/scine-readuct-4.1.0-h7245f0a_0.tar.bz2  2 years and 3 months ago 74 main
conda 473.0 kB | osx-arm64/scine-readuct-4.1.0-hf1c6afa_0.tar.bz2  2 years and 3 months ago 70 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.1.0-h2d86c2b_0.tar.bz2  2 years and 3 months ago 39 main
conda 14.5 MB | linux-aarch64/scine-readuct-4.1.0-h9e69175_0.tar.bz2  2 years and 3 months ago 60 main
conda 14.6 MB | linux-64/scine-readuct-4.1.0-he3004b7_0.tar.bz2  2 years and 3 months ago 1640 main
conda 590.3 kB | osx-64/scine-readuct-4.0.0-h4789766_0.tar.bz2  2 years and 5 months ago 77 main
conda 475.8 kB | osx-arm64/scine-readuct-4.0.0-h8151dbe_0.tar.bz2  2 years and 5 months ago 72 main
conda 14.8 MB | linux-ppc64le/scine-readuct-4.0.0-h2d86c2b_0.tar.bz2  2 years and 5 months ago 38 main
conda 14.4 MB | linux-aarch64/scine-readuct-4.0.0-h9e69175_0.tar.bz2  2 years and 5 months ago 60 main
conda 14.5 MB | linux-64/scine-readuct-4.0.0-he3004b7_0.tar.bz2  2 years and 5 months ago 1762 main
conda 472.6 kB | osx-64/scine-readuct-3.0.0-h4789766_1.tar.bz2  2 years and 7 months ago 79 main
conda 12.8 MB | linux-ppc64le/scine-readuct-3.0.0-h4e2eaed_1.tar.bz2  2 years and 7 months ago 39 main
conda 12.6 MB | linux-aarch64/scine-readuct-3.0.0-h5cdbd54_1.tar.bz2  2 years and 7 months ago 68 main
conda 376.8 kB | osx-arm64/scine-readuct-3.0.0-h8151dbe_1.tar.bz2  2 years and 7 months ago 75 main
conda 12.7 MB | linux-64/scine-readuct-3.0.0-h108e910_1.tar.bz2  2 years and 7 months ago 1824 main
conda 477.9 kB | osx-64/scine-readuct-3.0.0-h4789766_0.tar.bz2  2 years and 7 months ago 81 main
conda 12.6 MB | linux-64/scine-readuct-3.0.0-h108e910_0.tar.bz2  2 years and 7 months ago 1865 main

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