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QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers. Periodic Table and Physical Constants data are pulled from NIST srd144 and srd121, respectively (details) in a renewable manner (class around NIST-published JSON file). This project also contains a generator, validator, and translator for Molecule QCSchema.
Package | Summary | Distribution | Download |
python3-qcelemental-0.26.0-5.fc41.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora Rawhide for x86_64 | python3-qcelemental-0.26.0-5.fc41.noarch.rpm |
python3-qcelemental-0.26.0-5.fc41.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora Rawhide for aarch64 | python3-qcelemental-0.26.0-5.fc41.noarch.rpm |
python3-qcelemental-0.26.0-5.fc41.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora Rawhide for ppc64le | python3-qcelemental-0.26.0-5.fc41.noarch.rpm |
python3-qcelemental-0.26.0-5.fc41.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora Rawhide for s390x | python3-qcelemental-0.26.0-5.fc41.noarch.rpm |
python3-qcelemental-0.26.0-3.fc40.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 40 for x86_64 | python3-qcelemental-0.26.0-3.fc40.noarch.rpm |
python3-qcelemental-0.26.0-3.fc40.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 40 for aarch64 | python3-qcelemental-0.26.0-3.fc40.noarch.rpm |
python3-qcelemental-0.26.0-3.fc40.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 40 for ppc64le | python3-qcelemental-0.26.0-3.fc40.noarch.rpm |
python3-qcelemental-0.26.0-3.fc40.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 40 for s390x | python3-qcelemental-0.26.0-3.fc40.noarch.rpm |
python3-qcelemental-0.26.0-1.fc39.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 39 for x86_64 | python3-qcelemental-0.26.0-1.fc39.noarch.rpm |
python3-qcelemental-0.26.0-1.fc39.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 39 for aarch64 | python3-qcelemental-0.26.0-1.fc39.noarch.rpm |
python3-qcelemental-0.26.0-1.fc39.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 39 for ppc64le | python3-qcelemental-0.26.0-1.fc39.noarch.rpm |
python3-qcelemental-0.26.0-1.fc39.noarch.html | Periodic table, physical constants, and molecule parsing for quantum chemistry | Fedora 39 for s390x | python3-qcelemental-0.26.0-1.fc39.noarch.rpm |
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