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| Name: lammps-data | Distribution: Fedora Project |
| Version: 20240829 | Vendor: Fedora Project |
| Release: 1.fc41 | Build date: Sat Sep 21 07:24:20 2024 |
| Group: Unspecified | Build host: buildvm-x86-31.iad2.fedoraproject.org |
| Size: 94168737 | Source RPM: lammps-20240829-1.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://www.lammps.org/ | |
| Summary: Data files for LAMMPS | |
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. This package contains data files for LAMMPS.
GPL-2.0-only
* Fri Sep 20 2024 Richard Berger <richard.berger@outlook.com> - 20240829-1 - Version bump to 20240829 - Re-enable Kokkos - Prevent sourcing of modules.sh to stop due to error - Remove lammps-shell - Disable unstable tests - Add patch for mpi4py 4 support * Mon Jul 29 2024 Miroslav Suchý <msuchy@redhat.com> - 20230802.2-4 - convert license to SPDX * Thu Jul 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 20230802.2-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Sat Jun 08 2024 Python Maint <python-maint@redhat.com> - 20230802.2-2 - Rebuilt for Python 3.13 * Sat Feb 03 2024 Richard Berger <richard.berger@outlook.com> - 20230802.2-1 - Version bump to 20230802.2 * Thu Feb 01 2024 Richard Berger <richard.berger@outlook.com> - 20230802.1-4 - Remove non-existant build dependencies from 32bit builds * Thu Jan 25 2024 Fedora Release Engineering <releng@fedoraproject.org> - 20230802.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Jan 21 2024 Fedora Release Engineering <releng@fedoraproject.org> - 20230802.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sun Nov 05 2023 Richard Berger <richard.berger@outlook.com> - 20230802.1-1 - Version bump to 20230802.1 - Disable potentials download during CMake (DOWNLOAD_POTENTIALS=OFF) - Disable deprecated MPIIO package - Remove CMake patch - Add missing spglib to sources - Disable some more tests on non-x86 * Wed Jul 26 2023 Christoph Junghans <junghans@votca.org> - Re-enable serial lammps on ix86 * Thu Jul 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 20220623.4-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Sun Jul 02 2023 Python Maint <python-maint@redhat.com> - 20220623.4-2 - Rebuilt for Python 3.12 * Wed Jun 28 2023 Richard Berger <richard.berger@outlook.com> - 20220623.4-1` - Version bump to 20220623.4, disable more tests, and update patch * Thu Jun 15 2023 Python Maint <python-maint@redhat.com> - 20220623.3-3 - Rebuilt for Python 3.12 * Mon May 15 2023 Christoph Junghans <junghans@votca.org> - 20220623.3-2 - disable kokkos on rawhide for now * Mon Feb 20 2023 Richard Berger <richard.berger@outlook.com> - 20220623.3-1` - Version bump to 20220623.3 * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 20220623-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Tue Sep 27 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 20220623-3 - Rebuild for kokkos 3.7
/etc/profile.d/lammps.csh /etc/profile.d/lammps.sh /usr/share/lammps /usr/share/lammps/bench /usr/share/lammps/bench/Cu_u3.eam /usr/share/lammps/bench/POTENTIALS /usr/share/lammps/bench/POTENTIALS/CH.airebo /usr/share/lammps/bench/POTENTIALS/CH.rebo /usr/share/lammps/bench/POTENTIALS/CdTe.bop.table /usr/share/lammps/bench/POTENTIALS/Cu_u3.eam /usr/share/lammps/bench/POTENTIALS/Ni.adp /usr/share/lammps/bench/POTENTIALS/Ni.meam /usr/share/lammps/bench/POTENTIALS/README /usr/share/lammps/bench/POTENTIALS/Si.sw /usr/share/lammps/bench/POTENTIALS/Si.tersoff /usr/share/lammps/bench/POTENTIALS/data.airebo /usr/share/lammps/bench/POTENTIALS/data.comb /usr/share/lammps/bench/POTENTIALS/data.eff /usr/share/lammps/bench/POTENTIALS/data.eim /usr/share/lammps/bench/POTENTIALS/data.fene /usr/share/lammps/bench/POTENTIALS/data.gb /usr/share/lammps/bench/POTENTIALS/data.granular /usr/share/lammps/bench/POTENTIALS/data.protein /usr/share/lammps/bench/POTENTIALS/data.reax /usr/share/lammps/bench/POTENTIALS/data.rebo /usr/share/lammps/bench/POTENTIALS/data.spce /usr/share/lammps/bench/POTENTIALS/ffield.comb /usr/share/lammps/bench/POTENTIALS/ffield.eim /usr/share/lammps/bench/POTENTIALS/ffield.reax /usr/share/lammps/bench/POTENTIALS/in.adp /usr/share/lammps/bench/POTENTIALS/in.airebo /usr/share/lammps/bench/POTENTIALS/in.bop /usr/share/lammps/bench/POTENTIALS/in.comb /usr/share/lammps/bench/POTENTIALS/in.dpd /usr/share/lammps/bench/POTENTIALS/in.eam /usr/share/lammps/bench/POTENTIALS/in.eff /usr/share/lammps/bench/POTENTIALS/in.eim /usr/share/lammps/bench/POTENTIALS/in.fene /usr/share/lammps/bench/POTENTIALS/in.gb /usr/share/lammps/bench/POTENTIALS/in.granular /usr/share/lammps/bench/POTENTIALS/in.lj /usr/share/lammps/bench/POTENTIALS/in.meam /usr/share/lammps/bench/POTENTIALS/in.peri /usr/share/lammps/bench/POTENTIALS/in.protein /usr/share/lammps/bench/POTENTIALS/in.reaxc /usr/share/lammps/bench/POTENTIALS/in.rebo /usr/share/lammps/bench/POTENTIALS/in.spce /usr/share/lammps/bench/POTENTIALS/in.sw /usr/share/lammps/bench/POTENTIALS/in.tersoff /usr/share/lammps/bench/POTENTIALS/library.meam /usr/share/lammps/bench/POTENTIALS/log.9Oct20.adp.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.adp.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.airebo.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.airebo.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.bop.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.bop.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.comb.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.comb.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.dpd.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.dpd.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eam.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eam.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eff.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eff.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eim.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.eim.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.fene.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.fene.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.gb.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.gb.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.granular.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.granular.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.lj.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.lj.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.meam.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.meam.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.peri.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.peri.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.protein.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.protein.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.reaxc.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.reaxc.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.rebo.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.rebo.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.spce.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.spce.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.sw.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.sw.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.tersoff.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.tersoff.4 /usr/share/lammps/bench/README /usr/share/lammps/bench/data.chain /usr/share/lammps/bench/data.chute /usr/share/lammps/bench/data.rhodo /usr/share/lammps/bench/in.chain /usr/share/lammps/bench/in.chain.scaled /usr/share/lammps/bench/in.chute /usr/share/lammps/bench/in.chute.scaled /usr/share/lammps/bench/in.eam /usr/share/lammps/bench/in.lj /usr/share/lammps/bench/in.rhodo /usr/share/lammps/bench/in.rhodo.scaled /usr/share/lammps/bench/log.6Oct16.chain.fixed.icc.1 /usr/share/lammps/bench/log.6Oct16.chain.fixed.icc.4 /usr/share/lammps/bench/log.6Oct16.chain.scaled.icc.4 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/usr/share/lammps/frc_files/pcff.rlb /usr/share/lammps/frc_files/pcff_templates.dat /usr/share/lammps/potentials /usr/share/lammps/potentials/Ag_u3.eam /usr/share/lammps/potentials/AlCu.adp /usr/share/lammps/potentials/AlCu.bop.table /usr/share/lammps/potentials/AlCu.eam.alloy /usr/share/lammps/potentials/AlCuH.bop.table /usr/share/lammps/potentials/AlFe_mm.eam.fs /usr/share/lammps/potentials/AlO.eam.alloy /usr/share/lammps/potentials/AlO.streitz /usr/share/lammps/potentials/AlSiMgCuFe.meam /usr/share/lammps/potentials/Al_Batra_2019.agni /usr/share/lammps/potentials/Al_jnp.eam /usr/share/lammps/potentials/Al_jpc.agni /usr/share/lammps/potentials/Al_mm.eam.fs /usr/share/lammps/potentials/Al_prb.agni /usr/share/lammps/potentials/Al_zhou.eam.alloy /usr/share/lammps/potentials/Au_u3.eam /usr/share/lammps/potentials/BN.extep /usr/share/lammps/potentials/BNC.tersoff /usr/share/lammps/potentials/BNCH-old.ILP /usr/share/lammps/potentials/BNCH.ILP /usr/share/lammps/potentials/BNC_MBD_bulk.ILP /usr/share/lammps/potentials/BNC_TS_bulk.ILP /usr/share/lammps/potentials/Bi.meam /usr/share/lammps/potentials/C.drip /usr/share/lammps/potentials/C.lcbop /usr/share/lammps/potentials/CBNOH.aip.water.2dm /usr/share/lammps/potentials/CC.KC /usr/share/lammps/potentials/CC.KC-full /usr/share/lammps/potentials/CC.Lebedeva /usr/share/lammps/potentials/CCu_v2.bop.table /usr/share/lammps/potentials/CH.KC /usr/share/lammps/potentials/CH.airebo /usr/share/lammps/potentials/CH.airebo-m /usr/share/lammps/potentials/CH.rebo /usr/share/lammps/potentials/CHAu.ILP /usr/share/lammps/potentials/CH_taper.KC /usr/share/lammps/potentials/COH.DMC.aip.water.2dm /usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapcoeff /usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapparam /usr/share/lammps/potentials/CdTe.bop.table /usr/share/lammps/potentials/CdTe.sw /usr/share/lammps/potentials/CdTeSe.bop.table /usr/share/lammps/potentials/CdTeZn.bop.table /usr/share/lammps/potentials/CdTeZnSeHgS0.sw /usr/share/lammps/potentials/CdZnTe_v1.bop.table /usr/share/lammps/potentials/CdZnTe_v2.bop.table /usr/share/lammps/potentials/CoAl.eam.alloy /usr/share/lammps/potentials/Cu-PBE-core-rep.ace /usr/share/lammps/potentials/Cu.meam /usr/share/lammps/potentials/Cu.nn.mliap.model /usr/share/lammps/potentials/Cu.snap.mliap.descriptor /usr/share/lammps/potentials/CuH.bop.table /usr/share/lammps/potentials/CuNi.eam.alloy /usr/share/lammps/potentials/CuTa.eam.alloy /usr/share/lammps/potentials/CuTa_eam.poly /usr/share/lammps/potentials/CuZr_mm.eam.fs /usr/share/lammps/potentials/Cu_Huan_2019_fp1.agni /usr/share/lammps/potentials/Cu_Huan_2019_fp2.agni /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snap /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapcoeff /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapparam /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snap /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapcoeff /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapparam 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/usr/share/lammps/potentials/Ge_Zuo_JPCA2020.snapparam /usr/share/lammps/potentials/HGa.msmeam /usr/share/lammps/potentials/He_He_JW2013.table /usr/share/lammps/potentials/InP.vashishta /usr/share/lammps/potentials/InP_JCPA2020.mliap /usr/share/lammps/potentials/InP_JCPA2020.mliap.descriptor /usr/share/lammps/potentials/InP_JCPA2020.mliap.model /usr/share/lammps/potentials/InP_JCPA2020.snap /usr/share/lammps/potentials/InP_JCPA2020.snapcoeff /usr/share/lammps/potentials/InP_JCPA2020.snapparam /usr/share/lammps/potentials/Li_Zuo_JPCA2020.quadratic.snap /usr/share/lammps/potentials/Li_Zuo_JPCA2020.quadratic.snapcoeff /usr/share/lammps/potentials/Li_Zuo_JPCA2020.quadratic.snapparam /usr/share/lammps/potentials/Li_Zuo_JPCA2020.snap /usr/share/lammps/potentials/Li_Zuo_JPCA2020.snapcoeff /usr/share/lammps/potentials/Li_Zuo_JPCA2020.snapparam /usr/share/lammps/potentials/MOH.nb3b.harmonic /usr/share/lammps/potentials/MgAl.rann /usr/share/lammps/potentials/Mg_mm.eam.fs 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