cclib-data (1.6.2-2)
Details
Core information at a glance
- Distribution
- debian
- Origin
- debian-sid
- Repository
- https://deb.debian.org/debian
- Codename
- sid
- Component
- non-free
- Source
- none
- Architecture
- s390x
- Section
- non-free/science
- Priority
- optional
- Maintainer
- Debichem Team <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 61.6 kB
- Size expected
- 4.5 MB
- Size actual
- 4.5 MB
- Size match
Suggested packages
Recommended additional packages
- None
Description
Parsers and algorithms for computational chemistry (data files)
Tags
Package classification tags
role::app-data
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 089a3a3c…b40b7412 | |
| SHA-1 | 8df3ba42…c5612f99 | |
| SHA-256 | 4d79bbd0…49508bca | |
| SHA-512 | 8b8af02e…552b593d |
Contents
Files and directories included
. usr usr/lib usr/lib/python3 usr/lib/python3/dist-packages usr/lib/python3/dist-packages/cclib usr/lib/python3/dist-packages/cclib/data usr/lib/python3/dist-packages/cclib/data/ADF usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01 usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/metadata.txt usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01 usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/MoOCl4-sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/MoOCl4-sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/NH3.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/NH3.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt_b.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt_b.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_ir.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_ir.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_b.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_b.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_c.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_c.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_d.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_d.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_td.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_td.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp_c.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp_c.adfout usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/mo_sp.adfin usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/mo_sp.adfout usr/lib/python3/dist-packages/cclib/data/GAMESS usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0 usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/C_bigbasis.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/C_bigbasis.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_gopt_a.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_gopt_a.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_ir.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_ir.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_raman.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_raman.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td_trplet.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td_trplet.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_un_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_un_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/water_mp2.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/water_mp2.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017 usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/metadata.txt usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018 usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/metadata.txt usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_dets.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_dets.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_dets.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_saps.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_saps.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_cis_saps.out usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_mp2.dat usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_mp2.inp usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_mp2.out usr/lib/python3/dist-packages/cclib/data/GAMESS-UK usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0 usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/MoOCl4-sp.in usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/MoOCl4-sp.out usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_gopt_d.in 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