Content of RPM votca-xtp-tutorials-2024.2-1.fc41.noarch.rpm :
/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
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/mapchecker.xml
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.orb
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.xyz
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane_summary.xml
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/state.hdf5
/usr/share/votca/xtp-tutorials/pyxtp/files_examples/system.xml
/usr/share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb
/usr/share/votca/xtp-tutorials/pyxtp/scripts
/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_energy.py
/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_gradient.py
/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py
/usr/share/votca/xtp-tutorials/pyxtp/single_point.ipynb
/usr/share/votca/xtp-tutorials/tools
/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4
/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb
/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/dftgwbse2.xml
/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz
/usr/share/votca/xtp-tutorials/tools/pyxtp
/usr/share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb