votca-xtp-tutorials-2025-1.fc43 RPM for noarch

From Fedora Rawhide for x86_64 / v

VOTCA is a software package which focuses on the analysis of molecular
dynamics data, the development of systematic coarse-graining techniques as
well as methods used for simulating microscopic charge (and exciton) transport
in disordered semiconductors.

This package contains architecture independent xtp tutorial files
for the VOTCA package.

Provides

• votca-xtp-tutorials

Requires

• /usr/bin/bash
• /usr/bin/python3
• 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
• votca = 2025-1.fc43

License

Apache-2.0

Changelog

* Fri Mar 28 2025 Christoph Junghans <junghans@votca.org> - 2025-1
  - Version bump to v2025 (bug #2355797)
* Sun Jan 19 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2024.2-4
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
* Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 2024.2-3
  - Rebuild for hdf5 1.14.5
* Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2024.2-2
  - Rebuild against libxc 7.0.0 in rawhide.
* Sun Sep 29 2024 Christoph Junghans <junghans@votca.org> - 2024.2-1
  - Version bump to v2024.2 (bug #2315578)
* Wed Jul 24 2024 Miroslav Suchý <msuchy@redhat.com> - 2024.1-2
  - convert license to SPDX
* Sat Jul 20 2024 Christoph Junghans <junghans@votca.org> - 2024.1-1
  - Version bump to v2024.1 (bug #2298540)
* Sat Jul 20 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Thu Feb 01 2024 Christoph Junghans <junghans@votca.org> - 2024-2
  - Rebuilt to gromacs-2024
* Wed Jan 24 2024 Christoph Junghans <junghans@votca.org> - 2024-1
  - Version bump to v2024 (bug#2260025)
* Thu Jan 18 2024 Jonathan Wakely <jwakely@redhat.com> - 2023-2
  - Rebuilt for Boost 1.83
* Thu Nov 16 2023 Christoph Junghans <junghans@votca.org> - 2023-1
  - Version bump to v2023
* Sun Nov 12 2023 Christoph Junghans <junghans@votca.org> - 2023~rc2-2
  - Rebuild for gromacs-2023
* Wed Jul 26 2023 Christoph Junghans <junghans@votca.org> - 2023~rc2-1
  - Version bump to v2023-rc.2
* Sat Jul 22 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023~rc1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild

Files

/usr/share/votca/xtp-tutorials
/usr/share/votca/xtp-tutorials/GROMACS
/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane
/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/GROMACS_KMC.ipynb
/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/change_energy.py
/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/lifetimes.xml
/usr/share/votca/xtp-tutorials/GROMACS/Methane
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/conf.gro
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/topol.tpr
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_e.mps
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_h.mps
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n.mps
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n2s1.mps
/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_s1.mps
/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES
/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES/methane.xyz
/usr/share/votca/xtp-tutorials/GROMACS/Methane/QMMM_GROMACS.ipynb
/usr/share/votca/xtp-tutorials/GROMACS/Methane/eqm.xml
/usr/share/votca/xtp-tutorials/GROMACS/Methane/iqm.xml
/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm.xml
/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm_mm.xml
/usr/share/votca/xtp-tutorials/GROMACS/Methane/system.xml
/usr/share/votca/xtp-tutorials/LAMMPS
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/state.hdf5
/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/system.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/newfile.data
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/traj.dump
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/log2mps.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/molpol.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/log2mps.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/molpol.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/polar.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/polar.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_e.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_h.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.engrad
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.trj
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.engrad
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.trj
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.engrad
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.gbw
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.inp
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.log
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.opt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.prop
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.trj
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system_property.txt
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_e.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_h.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_n.xyz
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/eqm.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/iqm.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm.jobs
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm_mm.xml
/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/system.xml
/usr/share/votca/xtp-tutorials/LICENSE
/usr/share/votca/xtp-tutorials/README.rst
/usr/share/votca/xtp-tutorials/clean_notebooks.sh
/usr/share/votca/xtp-tutorials/pyxtp
/usr/share/votca/xtp-tutorials/pyxtp/files_examples
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_e.mps
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_h.mps
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n.mps
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n2s1.mps
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_s1.mps
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/dftgwbse.xml
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Fabrice Bellet, Tue Apr 1 23:22:23 2025