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| Name: python3-optking | Distribution: Fedora Project |
| Version: 0.3.0 | Vendor: Fedora Project |
| Release: 3.fc41 | Build date: Mon Sep 2 21:45:22 2024 |
| Group: Unspecified | Build host: buildvm-ppc64le-12.iad2.fedoraproject.org |
| Size: 1553259 | Source RPM: python-optking-0.3.0-3.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://github.com/psi-rking/optking | |
| Summary: A Python version of the PSI4 geometry optimization program by R.A. King | |
optking (also known as pyoptking) is a rewrite of the c++ optking module in psi4. This rewrite was undertaken to enable future development and for use with recent interoperability efforts (e.g. MolSSI QCArchive and QCDB). optking is focused on optimization of molecular geometries: finding minima, transition states, and reaction paths. Current work is focused especially on expanding the reaction path methods.
BSD-3-Clause
* Mon Sep 02 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-3 - Removed explicit requires. * Mon Sep 02 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-2 - Review fixes. * Wed Aug 28 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.3.0-1 - First release.
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Fabrice Bellet, Fri Nov 1 03:28:00 2024