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psi4 / packages / qcengine

A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.

copied from conda-forge / qcengine

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Type Size Name Uploaded Downloads Labels
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  2 years and 7 months ago 7787 main dev
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  2 years and 7 months ago 214 main dev
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  2 years and 9 months ago 972 main dev
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  2 years and 10 months ago 535 main dev
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  3 years and 6 months ago 28574 main dev
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  3 years and 6 months ago 1222 main dev
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  3 years and 9 months ago 29172 main dev
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  3 years and 11 months ago 6545 main dev
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  4 years and 2 months ago 19107 main dev
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  4 years and 4 months ago 2107 main dev
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  4 years and 6 months ago 12503 main dev
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  4 years and 8 months ago 5964 main dev
conda 192.3 kB | noarch/qcengine-0.19.1-pyh27ad0ae_0.tar.bz2  4 years and 8 months ago 50 qcdb
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  5 years and 23 days ago 14411 main dev
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  5 years and 3 months ago 1685 main dev
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  5 years and 8 months ago 1714 main dev
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  5 years and 9 months ago 807 main dev
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  5 years and 11 months ago 1431 main dev
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  6 years and 4 months ago 2674 main dev
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  6 years and 5 months ago 1766 main dev
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  6 years and 6 months ago 1637 main dev
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  6 years and 8 months ago 1298 main dev
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  6 years and 9 months ago 720 main dev
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  6 years and 9 months ago 294 main dev
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  6 years and 10 months ago 282 main dev
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