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Name: mrchem-data | Distribution: Fedora Project |
Version: 1.1.4 | Vendor: Fedora Project |
Release: 1.fc41 | Build date: Wed Sep 4 12:27:49 2024 |
Group: Unspecified | Build host: buildhw-x86-12.iad2.fedoraproject.org |
Size: 1338271 | Source RPM: mrchem-1.1.4-1.fc41.src.rpm |
Packager: Fedora Project | |
Url: https://github.com/MRChemSoft/mrchem/ | |
Summary: Data files for MRchem |
MRChem is a numerical real-space code for molecular electronic structure calculations within the self-consistent field (SCF) approximations of quantum chemistry (Hartree-Fock and Density Functional Theory). This package contains the data files for MRChem.
LGPL-3.0-or-later
* Wed Sep 04 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.4-1 - Update to 1.1.4. * Thu Jul 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.3-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Wed Jul 17 2024 Miroslav Suchý <msuchy@redhat.com> - 1.1.3-5 - convert license to SPDX * Fri Jun 07 2024 Python Maint <python-maint@redhat.com> - 1.1.3-4 - Rebuilt for Python 3.13 * Thu Jan 25 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.3-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Jan 21 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Wed Aug 23 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.3-1 - Update to 1.1.3. * Thu Jul 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.2-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Tue Jun 13 2023 Python Maint <python-maint@redhat.com> - 1.1.2-3 - Rebuilt for Python 3.12 * Mon Mar 13 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.2-2 - Fix FTBFS caused by catch3 in rawhide. * Fri Jan 20 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.2-1 - Update to 1.1.2. * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Mon Dec 19 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.1-1 - Update to 1.1.1. * Wed Sep 28 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.0-1 - Update to 1.1.0.
/usr/share/MRChem /usr/share/MRChem/sad_basis /usr/share/MRChem/sad_basis/Ag.bas /usr/share/MRChem/sad_basis/Ag.dens /usr/share/MRChem/sad_basis/Al.bas /usr/share/MRChem/sad_basis/Al.dens /usr/share/MRChem/sad_basis/Ar.bas /usr/share/MRChem/sad_basis/Ar.dens /usr/share/MRChem/sad_basis/As.bas /usr/share/MRChem/sad_basis/As.dens /usr/share/MRChem/sad_basis/B.bas /usr/share/MRChem/sad_basis/B.dens /usr/share/MRChem/sad_basis/Be.bas /usr/share/MRChem/sad_basis/Be.dens /usr/share/MRChem/sad_basis/Br.bas /usr/share/MRChem/sad_basis/Br.dens /usr/share/MRChem/sad_basis/C.bas /usr/share/MRChem/sad_basis/C.dens /usr/share/MRChem/sad_basis/Ca.bas /usr/share/MRChem/sad_basis/Ca.dens /usr/share/MRChem/sad_basis/Cd.bas /usr/share/MRChem/sad_basis/Cd.dens /usr/share/MRChem/sad_basis/Cl.bas /usr/share/MRChem/sad_basis/Cl.dens /usr/share/MRChem/sad_basis/Co.bas /usr/share/MRChem/sad_basis/Co.dens /usr/share/MRChem/sad_basis/Cr.bas /usr/share/MRChem/sad_basis/Cr.dens /usr/share/MRChem/sad_basis/Cu.bas /usr/share/MRChem/sad_basis/Cu.dens /usr/share/MRChem/sad_basis/F.bas /usr/share/MRChem/sad_basis/F.dens /usr/share/MRChem/sad_basis/Fe.bas /usr/share/MRChem/sad_basis/Fe.dens /usr/share/MRChem/sad_basis/Ga.bas /usr/share/MRChem/sad_basis/Ga.dens /usr/share/MRChem/sad_basis/Ge.bas /usr/share/MRChem/sad_basis/Ge.dens /usr/share/MRChem/sad_basis/H.bas /usr/share/MRChem/sad_basis/H.dens /usr/share/MRChem/sad_basis/He.bas /usr/share/MRChem/sad_basis/He.dens /usr/share/MRChem/sad_basis/I.bas /usr/share/MRChem/sad_basis/I.dens /usr/share/MRChem/sad_basis/In.bas /usr/share/MRChem/sad_basis/In.dens /usr/share/MRChem/sad_basis/K.bas /usr/share/MRChem/sad_basis/K.dens /usr/share/MRChem/sad_basis/Kr.bas /usr/share/MRChem/sad_basis/Kr.dens /usr/share/MRChem/sad_basis/Li.bas /usr/share/MRChem/sad_basis/Li.dens /usr/share/MRChem/sad_basis/Mg.bas /usr/share/MRChem/sad_basis/Mg.dens /usr/share/MRChem/sad_basis/Mn.bas /usr/share/MRChem/sad_basis/Mn.dens /usr/share/MRChem/sad_basis/Mo.bas /usr/share/MRChem/sad_basis/Mo.dens /usr/share/MRChem/sad_basis/N.bas /usr/share/MRChem/sad_basis/N.dens /usr/share/MRChem/sad_basis/Na.bas /usr/share/MRChem/sad_basis/Na.dens /usr/share/MRChem/sad_basis/Nb.bas /usr/share/MRChem/sad_basis/Nb.dens /usr/share/MRChem/sad_basis/Ne.bas /usr/share/MRChem/sad_basis/Ne.dens /usr/share/MRChem/sad_basis/Ni.bas /usr/share/MRChem/sad_basis/Ni.dens /usr/share/MRChem/sad_basis/O.bas /usr/share/MRChem/sad_basis/O.dens /usr/share/MRChem/sad_basis/P.bas /usr/share/MRChem/sad_basis/P.dens /usr/share/MRChem/sad_basis/Pd.bas /usr/share/MRChem/sad_basis/Pd.dens /usr/share/MRChem/sad_basis/Rb.bas /usr/share/MRChem/sad_basis/Rb.dens /usr/share/MRChem/sad_basis/Rh.bas /usr/share/MRChem/sad_basis/Rh.dens /usr/share/MRChem/sad_basis/Ru.bas /usr/share/MRChem/sad_basis/Ru.dens /usr/share/MRChem/sad_basis/S.bas /usr/share/MRChem/sad_basis/S.dens /usr/share/MRChem/sad_basis/Sb.bas /usr/share/MRChem/sad_basis/Sb.dens /usr/share/MRChem/sad_basis/Sc.bas /usr/share/MRChem/sad_basis/Sc.dens /usr/share/MRChem/sad_basis/Se.bas /usr/share/MRChem/sad_basis/Se.dens /usr/share/MRChem/sad_basis/Si.bas /usr/share/MRChem/sad_basis/Si.dens /usr/share/MRChem/sad_basis/Sn.bas /usr/share/MRChem/sad_basis/Sn.dens /usr/share/MRChem/sad_basis/Sr.bas /usr/share/MRChem/sad_basis/Sr.dens /usr/share/MRChem/sad_basis/Tc.bas /usr/share/MRChem/sad_basis/Tc.dens /usr/share/MRChem/sad_basis/Te.bas /usr/share/MRChem/sad_basis/Te.dens /usr/share/MRChem/sad_basis/Ti.bas /usr/share/MRChem/sad_basis/Ti.dens /usr/share/MRChem/sad_basis/V.bas /usr/share/MRChem/sad_basis/V.dens /usr/share/MRChem/sad_basis/Xe.bas /usr/share/MRChem/sad_basis/Xe.dens /usr/share/MRChem/sad_basis/Y.bas /usr/share/MRChem/sad_basis/Y.dens /usr/share/MRChem/sad_basis/Zn.bas /usr/share/MRChem/sad_basis/Zn.dens /usr/share/MRChem/sad_basis/Zr.bas /usr/share/MRChem/sad_basis/Zr.dens
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Fabrice Bellet, Sun Oct 27 02:54:38 2024