votca-data (2025.1-1)
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
- 22.4 kB
- Size expected
- 5.3 MB
- Size actual
- 5.3 MB
- Size match
Suggested packages
Recommended additional packages
- None
Description
VOTCA molecular dynamics analysis - basis sets and scripts
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 042cf222…53305f71 | |
| SHA-1 | 583fbdf6…dcbeacd3 | |
| SHA-256 | ba0cda78…de363f24 | |
| SHA-512 | 3bfe55c7…5385adeb |
Contents
Files and directories included
. usr usr/share usr/share/doc usr/share/doc/votca-data usr/share/doc/votca-data/changelog.Debian.gz usr/share/doc/votca-data/changelog.gz usr/share/doc/votca-data/copyright usr/share/doc/votca-data/html usr/share/doc/votca-data/html/Architecture.html usr/share/doc/votca-data/html/CODE_OF_CONDUCT.html usr/share/doc/votca-data/html/DEVELOPERS_GUIDE.html usr/share/doc/votca-data/html/INSTALL.html usr/share/doc/votca-data/html/VOTCA_LANGUAGE_GUIDE.html usr/share/doc/votca-data/html/_images usr/share/doc/votca-data/html/_images/directedgraph.svg usr/share/doc/votca-data/html/_images/excl.png usr/share/doc/votca-data/html/_images/force-matching.png usr/share/doc/votca-data/html/_images/fragment_def.svg usr/share/doc/votca-data/html/_images/hexane2.png usr/share/doc/votca-data/html/_images/iteration-scheme-simple.png usr/share/doc/votca-data/html/_images/iteration-scheme.png usr/share/doc/votca-data/html/_images/iterative-methods.png usr/share/doc/votca-data/html/_images/kmctraj.svg usr/share/doc/votca-data/html/_images/mapping.png usr/share/doc/votca-data/html/_images/pre-iterative-method.png usr/share/doc/votca-data/html/_images/propane.png usr/share/doc/votca-data/html/_images/propane_hist2d.png usr/share/doc/votca-data/html/_images/reorg.svg usr/share/doc/votca-data/html/_images/reorg_mol.svg usr/share/doc/votca-data/html/_images/siteenergies.svg usr/share/doc/votca-data/html/_sources usr/share/doc/votca-data/html/_sources/Architecture.rst.txt usr/share/doc/votca-data/html/_sources/CODE_OF_CONDUCT.rst.txt usr/share/doc/votca-data/html/_sources/DEVELOPERS_GUIDE.rst.txt usr/share/doc/votca-data/html/_sources/INSTALL.rst.txt usr/share/doc/votca-data/html/_sources/VOTCA_LANGUAGE_GUIDE.rst.txt usr/share/doc/votca-data/html/_sources/csg usr/share/doc/votca-data/html/_sources/csg/advanced_topics.rst.txt usr/share/doc/votca-data/html/_sources/csg/bibliography.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_boltzmann.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_call.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_defaults.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_density.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_dlptopol.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_dump.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_fluctuations.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_fmatch.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_gmxtopol.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_imc_solve.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_inverse.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_map.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_orientcorr.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_part_dist.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_partial_rdf.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_property.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_radii.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_resample.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_reupdate.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_scripts.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_sphericalorder.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_stat.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_table.rst.txt usr/share/doc/votca-data/html/_sources/csg/csg_traj_force.rst.txt usr/share/doc/votca-data/html/_sources/csg/index.rst.txt usr/share/doc/votca-data/html/_sources/csg/input_files.rst.txt usr/share/doc/votca-data/html/_sources/csg/introduction.rst.txt usr/share/doc/votca-data/html/_sources/csg/mapping.rst.txt usr/share/doc/votca-data/html/_sources/csg/methods.rst.txt usr/share/doc/votca-data/html/_sources/csg/preparing.rst.txt usr/share/doc/votca-data/html/_sources/csg/reference.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts usr/share/doc/votca-data/html/_sources/csg/scripts/add_POT.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/add_pot_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_density_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_kbint.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_pressure_gromacs.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_pressure_lammps.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_rdf_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/calc_target_rdf_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/check_csg_xml.py.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/clean_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/cma_processor.py.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/convergence_check_default.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/dist_adjust.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/dist_boltzmann_invert.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/dummy.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/functions_common.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/functions_dlpoly.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/functions_genericsim.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/functions_gromacs.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/iie.py.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/imc_stat_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/initialize_step_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/initialize_step_genericsim.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/initialize_step_optimizer.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/initialize_step_re.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/inverse.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/kbibi_ramp_correction.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/lj_126.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/merge_tables.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_parameters_to_potential.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_prepare_state.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_state_to_mapping.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_state_to_potentials.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_target_density.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_target_pressure.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/optimizer_target_rdf.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/post_add.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/post_add_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/post_update_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/post_update_generic_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/post_update_re_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_acc_convergence.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_average.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_compress.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_convergence.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_copyback.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_dummy.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_overwrite.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_plot.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_shift.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postadd_smooth_at_cut_off.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_addlj.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_cibi_correction.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_extrapolate.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_ibi.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_kbibi_correction.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_pressure.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_scale.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_smooth.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/postupd_splinesmooth.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_extrapolate.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_shift.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_to_dlpoly.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_to_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_to_gromacs.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potential_to_lammps.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potentials_to_dlpoly.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/potentials_to_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/pre_update_re.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_generic.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_generic_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_iie.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_imc.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_optimizer.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_optimizer_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/prepare_re.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/pressure_cor_simple.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/pressure_cor_wjk.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/resample_target.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/run_genericsim.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/run_gromacs.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/simplex_downhill_processor.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_average.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_change_flag.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_combine.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_dummy.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_extrapolate.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_functional.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_get_value.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_integrate.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_linearop.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_scale.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_smooth.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_smooth_at_cut_off.py.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_switch_border.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_to_tab.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/table_to_xvg.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/tables_jackknife.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/tag_file.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_ibi.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_ibi_pot.pl.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_ibi_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_iie.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_imc.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_imc_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_optimizer.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_optimizer_single.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/scripts/update_re.sh.rst.txt usr/share/doc/votca-data/html/_sources/csg/theory.rst.txt usr/share/doc/votca-data/html/_sources/csg/topol.rst.txt usr/share/doc/votca-data/html/_sources/csg-tutorials usr/share/doc/votca-data/html/_sources/csg-tutorials/Tutorial.rst.txt usr/share/doc/votca-data/html/_sources/index.rst.txt usr/share/doc/votca-data/html/_sources/tools usr/share/doc/votca-data/html/_sources/tools/index.rst.txt usr/share/doc/votca-data/html/_sources/tools/reference.rst.txt usr/share/doc/votca-data/html/_sources/tools/votca_property.rst.txt usr/share/doc/votca-data/html/_sources/websiteAndDocumentation.rst.txt usr/share/doc/votca-data/html/_sources/xtp usr/share/doc/votca-data/html/_sources/xtp/Architecture.rst.txt usr/share/doc/votca-data/html/_sources/xtp/XTP-MANUAL.rst.txt usr/share/doc/votca-data/html/_sources/xtp/apdft.rst.txt usr/share/doc/votca-data/html/_sources/xtp/bibliography.rst.txt usr/share/doc/votca-data/html/_sources/xtp/coupling.rst.txt usr/share/doc/votca-data/html/_sources/xtp/densityanalysis.rst.txt 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