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Information for RPM python3-optking-0.3.0-3.fc41.noarch.rpm

ID1451061
Namepython3-optking
Version0.3.0
Release3.fc41
Epoch
Archnoarch
SummaryA Python version of the PSI4 geometry optimization program by R.A. King
Descriptionoptking (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.
Build Time2024-09-02 19:45:22 GMT
Size375.85 KB
817ad355ff8274c4fe6e80cd040010de
LicenseBSD-3-Clause
Provides
python-optking = 0.3.0-3.fc41
python3-optking = 0.3.0-3.fc41
python3.13-optking = 0.3.0-3.fc41
python3.13dist(optking) = 0.3
python3dist(optking) = 0.3
Obsoletes
python-optking < 0.3.0-3.fc41
Conflicts No Conflicts
Requires
python(abi) = 3.13
python3.13dist(msgpack) >= 1
python3.13dist(numpy) >= 1.20
python3.13dist(qcelemental) >= 0.20
python3.13dist(qcengine) >= 0.20
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
rpmlib(PartialHardlinkSets) <= 4.0.4-1
rpmlib(PayloadFilesHavePrefix) <= 4.0-1
rpmlib(PayloadIsZstd) <= 5.4.18-1
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
Page:
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Name ascending sort Size
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info0.00 B
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/INSTALLER4.00 B
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/LICENSE1.48 KB
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/METADATA1020.00 B
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/WHEEL92.00 B
/usr/lib/python3.13/site-packages/OptKing-0.3.0.dist-info/top_level.txt8.00 B
/usr/lib/python3.13/site-packages/optking0.00 B
/usr/lib/python3.13/site-packages/optking/IRCdata.py13.26 KB
/usr/lib/python3.13/site-packages/optking/IRCfollowing.py18.20 KB
/usr/lib/python3.13/site-packages/optking/__init__.py1.02 KB
/usr/lib/python3.13/site-packages/optking/__pycache__0.00 B
/usr/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.opt-1.pyc17.31 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.pyc17.31 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/IRCfollowing.cpython-313.opt-1.pyc21.60 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/IRCfollowing.cpython-313.pyc21.60 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/__init__.cpython-313.opt-1.pyc1.65 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/__init__.cpython-313.pyc1.65 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/_version.cpython-313.opt-1.pyc540.00 B
/usr/lib/python3.13/site-packages/optking/__pycache__/_version.cpython-313.pyc540.00 B
/usr/lib/python3.13/site-packages/optking/__pycache__/addIntcos.cpython-313.opt-1.pyc49.51 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/addIntcos.cpython-313.pyc49.51 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/bend.cpython-313.opt-1.pyc17.46 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/bend.cpython-313.pyc17.46 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/cart.cpython-313.opt-1.pyc5.80 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/cart.cpython-313.pyc5.80 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/caseInsensitiveDict.cpython-313.opt-1.pyc2.45 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/caseInsensitiveDict.cpython-313.pyc2.45 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/compute_wrappers.cpython-313.opt-1.pyc9.80 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/compute_wrappers.cpython-313.pyc9.80 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/convcheck.cpython-313.opt-1.pyc11.54 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/convcheck.cpython-313.pyc11.54 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/dimerfrag.cpython-313.opt-1.pyc56.01 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/dimerfrag.cpython-313.pyc56.01 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/displace.cpython-313.opt-1.pyc19.83 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/displace.cpython-313.pyc19.83 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/exceptions.cpython-313.opt-1.pyc1.92 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/exceptions.cpython-313.pyc1.92 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/frag.cpython-313.opt-1.pyc13.08 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/frag.cpython-313.pyc13.08 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/hessian.cpython-313.opt-1.pyc5.12 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/hessian.cpython-313.pyc5.12 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/history.cpython-313.opt-1.pyc19.43 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/history.cpython-313.pyc19.43 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/intcosMisc.cpython-313.opt-1.pyc2.75 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/intcosMisc.cpython-313.pyc2.75 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/linearAlgebra.cpython-313.opt-1.pyc7.30 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/linearAlgebra.cpython-313.pyc7.30 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/linesearch.cpython-313.opt-1.pyc15.15 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/linesearch.cpython-313.pyc15.15 KB
/usr/lib/python3.13/site-packages/optking/__pycache__/lj_functions.cpython-313.opt-1.pyc1.71 KB
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