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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.
| Package | Summary | Distribution | Download |
| python3-optking-0.3.0-4.fc42.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora Rawhide for x86_64 | python3-optking-0.3.0-4.fc42.noarch.rpm |
| python3-optking-0.3.0-4.fc42.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora Rawhide for aarch64 | python3-optking-0.3.0-4.fc42.noarch.rpm |
| python3-optking-0.3.0-4.fc42.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora Rawhide for ppc64le | python3-optking-0.3.0-4.fc42.noarch.rpm |
| python3-optking-0.3.0-4.fc42.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora Rawhide for s390x | python3-optking-0.3.0-4.fc42.noarch.rpm |
| python3-optking-0.3.0-3.fc41.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora 41 testing updates for x86_64 | python3-optking-0.3.0-3.fc41.noarch.rpm |
| python3-optking-0.3.0-3.fc41.noarch.html | A Python version of the PSI4 geometry optimization program by R.A. King | Fedora 41 testing updates for aarch64 | python3-optking-0.3.0-3.fc41.noarch.rpm |
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