votca-tutorials (2026-2)

Details

Core information at a glance

Distribution
debian
Origin
debian-sid
Repository
https://deb.debian.org/debian
Codename
sid
Component
main
Source
votca
Architecture
s390x
Section
science
Priority
optional
Maintainer
Debichem Team <[email protected]>

Size & integrity

Byte sizes and integrity verification

Installed size
59.5 kB
Size expected
15.5 MB
Size actual
15.5 MB
Size match

Dependencies

Required package dependencies

  • bash (>= 4)

Suggested packages

Recommended additional packages

  • None

Description

VOTCA molecular dynamics analysis - tutorials

Homepage Download .deb

Tags

Package classification tags

None

Checksums

Hash values and integrity verification status

TypeActualMatch
MD510371d76…98c9763e
SHA-1cf5c9070…536687e0
SHA-2561c36d576…affde339
SHA-5124b162381…1d60314a

Contents

Files and directories included

.
usr
usr/share
usr/share/doc
usr/share/doc/votca-tutorials
usr/share/doc/votca-tutorials/changelog.Debian.gz
usr/share/doc/votca-tutorials/changelog.gz
usr/share/doc/votca-tutorials/copyright
usr/share/lintian
usr/share/lintian/overrides
usr/share/lintian/overrides/votca-tutorials
usr/share/votca
usr/share/votca/doc
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
usr/share/votca/doc/csg-tutorials
usr/share/votca/doc/xtp-tutorials