Package - bagel

Package: bagel
apt-get install bagel

Documentations in package:

bagel

Primary informations

Download package: http://deb.debian.org/debian/pool/main/b/bagel/bagel_1.2.2-8_amd64.deb (Size: 35.5MiB)

Property	Value
Package	bagel
Version	1.2.2-8
Installed-Size	112216
Maintainer	Debichem Team
Architecture	amd64
Replaces	bagel-data
Depends	libblas3 \| libblas.so.3, libboost-serialization1.83.0 (>= 1.83.0), libc6 (>= 2.35), libgcc-s1 (>= 4.0), liblapack3 \| liblapack.so.3, libmpich12, libstdc++6 (>= 13.1), libxc9 (>= 5.0.0)
Breaks	bagel-data
Description	Computational Chemistry Package
Description-md5	0fbd02ec85f9028f689d08ec8b757ea1
Homepage	http://www.nubakery.org/
Section	science
Priority	optional
Filename	pool/main/b/bagel/bagel_1.2.2-8_amd64.deb
Size	37205780
MD5sum	cb6bf9946c9eeea99c8fd9494ffff2e9
SHA256	ef8f8291a8bb3be5bb3710e8615ca1efa00c6f6b784c033971ddced8e5290ca2

Files in package

/usr/bin/BAGEL
/usr/share/bagel/3-21g.json
/usr/share/bagel/6-31g.json
/usr/share/bagel/ano-rcc.json
/usr/share/bagel/aug-cc-pcv5z.json
/usr/share/bagel/aug-cc-pcvdz-dk.json
/usr/share/bagel/aug-cc-pcvdz.json
/usr/share/bagel/aug-cc-pcvqz-dk.json
/usr/share/bagel/aug-cc-pcvqz.json
/usr/share/bagel/aug-cc-pcvtz-dk.json
/usr/share/bagel/aug-cc-pcvtz.json
/usr/share/bagel/aug-cc-pv5z.json
/usr/share/bagel/aug-cc-pv6z.json
/usr/share/bagel/aug-cc-pvdz.json
/usr/share/bagel/aug-cc-pvqz.json
/usr/share/bagel/aug-cc-pvtz.json
/usr/share/bagel/aug-cc-pwcv5z.json
/usr/share/bagel/aug-cc-pwcvdz.json
/usr/share/bagel/aug-cc-pwcvqz.json
/usr/share/bagel/aug-cc-pwcvtz.json
/usr/share/bagel/cc-pcv5z.json
/usr/share/bagel/cc-pcvdz.json
/usr/share/bagel/cc-pcvqz.json
/usr/share/bagel/cc-pcvtz.json
/usr/share/bagel/cc-pv5z-jkfit.json
/usr/share/bagel/cc-pv5z-ri.json
/usr/share/bagel/cc-pv5z.json
/usr/share/bagel/cc-pv6z.json
/usr/share/bagel/cc-pvdz-dk.json
/usr/share/bagel/cc-pvdz-jkfit.json
/usr/share/bagel/cc-pvdz-ri.json
/usr/share/bagel/cc-pvdz.json
/usr/share/bagel/cc-pvqz-jkfit.json
/usr/share/bagel/cc-pvqz-ri.json
/usr/share/bagel/cc-pvqz.json
/usr/share/bagel/cc-pvtz-dk.json
/usr/share/bagel/cc-pvtz-jkfit.json
/usr/share/bagel/cc-pvtz-ri.json
/usr/share/bagel/cc-pvtz.json
/usr/share/bagel/complete.json
/usr/share/bagel/d-aug-cc-pv5z.json
/usr/share/bagel/d-aug-cc-pvdz.json
/usr/share/bagel/d-aug-cc-pvqz.json
/usr/share/bagel/d-aug-cc-pvtz.json
/usr/share/bagel/def2-SVP-2c-ecp.json
/usr/share/bagel/def2-SVP-ecp.json
/usr/share/bagel/ecp10mdf.json
/usr/share/bagel/ecp28mdf.json
/usr/share/bagel/ecp46mdf.json
/usr/share/bagel/ecp60mdf.json
/usr/share/bagel/ecp78mdf.json
/usr/share/bagel/lanl2dz-ecp.json
/usr/share/bagel/qzvpp-jkfit.json
/usr/share/bagel/qzvpp.json
/usr/share/bagel/sto-3g.json
/usr/share/bagel/svp-jkfit.json
/usr/share/bagel/svp.json
/usr/share/bagel/tzvpp-jkfit.json
/usr/share/bagel/tzvpp.json
/usr/share/doc/bagel/changelog.Debian.gz
/usr/share/doc/bagel/copyright
/usr/share/doc/bagel/examples/benzene_sto3g_asd-ras_stack.json
/usr/share/doc/bagel/examples/benzene_sto3g_asd_T.json
/usr/share/doc/bagel/examples/benzene_sto3g_asd_stack.json
/usr/share/doc/bagel/examples/benzene_sto3g_pml.json
/usr/share/doc/bagel/examples/benzene_svp_mp2.json
/usr/share/doc/bagel/examples/benzene_svp_mp2_aux.json
/usr/share/doc/bagel/examples/ch2_sto3g_meci_opt.json
/usr/share/doc/bagel/examples/cuh2_ecp_hf.json
/usr/share/doc/bagel/examples/h2o_sto3g_ras_full.json
/usr/share/doc/bagel/examples/h2o_sto3g_ras_restricted.json
/usr/share/doc/bagel/examples/h2o_svp_cas.json
/usr/share/doc/bagel/examples/h2o_svp_fmm.json
/usr/share/doc/bagel/examples/h2o_svp_fmm_restart.json
/usr/share/doc/bagel/examples/h2o_svp_nevpt2.json
/usr/share/doc/bagel/examples/hbr_ecp_sohf.json
/usr/share/doc/bagel/examples/hc_svp_rohf.json
/usr/share/doc/bagel/examples/hc_svp_rohf_opt.json
/usr/share/doc/bagel/examples/hcl_svp_common_coulomb.json
/usr/share/doc/bagel/examples/hcl_svp_common_gaunt.json
/usr/share/doc/bagel/examples/hcl_svp_dfhf.json
/usr/share/doc/bagel/examples/hcl_svp_dfhf_opt.json
/usr/share/doc/bagel/examples/hcl_svp_london_coulomb.json
/usr/share/doc/bagel/examples/he3_svp_asd-dmrg.json
/usr/share/doc/bagel/examples/he_tzvpp_second_coulomb.json
/usr/share/doc/bagel/examples/hf_mix2_dfhf.json
/usr/share/doc/bagel/examples/hf_mix_dfhf.json
/usr/share/doc/bagel/examples/hf_mix_dfhf_finite.json
/usr/share/doc/bagel/examples/hf_mix_dfhf_opt.json
/usr/share/doc/bagel/examples/hf_new_dfhf.json
/usr/share/doc/bagel/examples/hf_read_mol_cart.json
/usr/share/doc/bagel/examples/hf_read_mol_sph.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_dist.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_hz.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_kh.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_restart.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_breit.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_coulomb.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_b3lyp.json
/usr/share/doc/bagel/examples/hf_svp_b3lyp_opt.json
/usr/share/doc/bagel/examples/hf_svp_breit.json
/usr/share/doc/bagel/examples/hf_svp_cas_opt.json
/usr/share/doc/bagel/examples/hf_svp_cis.json
/usr/share/doc/bagel/examples/hf_svp_common_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_coulomb.json
/usr/share/doc/bagel/examples/hf_svp_coulomb_opt.json
/usr/share/doc/bagel/examples/hf_svp_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_cart.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_charge.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh_grad.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_ext.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_grad.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt_cart.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_restart.json
/usr/share/doc/bagel/examples/hf_svp_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_hf.json
/usr/share/doc/bagel/examples/hf_svp_london_coulomb.json
/usr/share/doc/bagel/examples/hf_svp_london_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_london_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_london_hf.json
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_finite.json
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_opt.json
/usr/share/doc/bagel/examples/hf_svp_mp2_opt.json
/usr/share/doc/bagel/examples/hf_svp_sacas_opt.json
/usr/share/doc/bagel/examples/hf_svp_second_coulomb.json
/usr/share/doc/bagel/examples/hf_tzvpp_zcasscf_saveref.json
/usr/share/doc/bagel/examples/hf_write_mol_cart.json
/usr/share/doc/bagel/examples/hf_write_mol_sph.json
/usr/share/doc/bagel/examples/hhe_svp_fci2_trip.json
/usr/share/doc/bagel/examples/hhe_svp_fci_hz_trip.json
/usr/share/doc/bagel/examples/hhe_svp_fci_kh_trip.json
/usr/share/doc/bagel/examples/hhe_svp_ras_full.json
/usr/share/doc/bagel/examples/hhe_svp_ras_restricted.json
/usr/share/doc/bagel/examples/li2_svp_caspt2_grad.json
/usr/share/doc/bagel/examples/li2_svp_caspt2_shift.json
/usr/share/doc/bagel/examples/li2_tzvpp_cas43.json
/usr/share/doc/bagel/examples/lif_svp_cas22.json
/usr/share/doc/bagel/examples/lif_svp_cas_nacme.json
/usr/share/doc/bagel/examples/lif_svp_mscaspt2_grad.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_finite.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_grad.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_grad_imag.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_nacme.json
/usr/share/doc/bagel/examples/lih_tzvpp_cas22.json
/usr/share/doc/bagel/examples/nh_svp_triplet_gaunt.json
/usr/share/doc/bagel/examples/o2_321g_zcasscf_pseudospin.json
/usr/share/doc/bagel/examples/o2_svp_triplet_breit.json
/usr/share/doc/bagel/examples/oh_svp_uhf.json
/usr/share/doc/bagel/examples/oh_svp_uhf_opt.json
/usr/share/doc/bagel/examples/watertrimer_sto3g_pml_region.json
/usr/share/doc/bagel/examples/watertrimer_sto3g_rl.json
/usr/share/doc/bagel/html/_images/bagel-final.png
/usr/share/doc/bagel/html/_images/benzene_dimer.png
/usr/share/doc/bagel/html/_images/benzophenone.png
/usr/share/doc/bagel/html/_images/benzophenone1.png
/usr/share/doc/bagel/html/_images/funding.png
/usr/share/doc/bagel/html/_images/group.jpg
/usr/share/doc/bagel/html/_images/group.png
/usr/share/doc/bagel/html/_images/hf-graphene.png
/usr/share/doc/bagel/html/_static/ajax-loader.gif
/usr/share/doc/bagel/html/_static/bagel-final.pdf.gz
/usr/share/doc/bagel/html/_static/bagel-final.png
/usr/share/doc/bagel/html/_static/basic.css
/usr/share/doc/bagel/html/_static/classic.css
/usr/share/doc/bagel/html/_static/comment-bright.png
/usr/share/doc/bagel/html/_static/comment-close.png
/usr/share/doc/bagel/html/_static/comment.png
/usr/share/doc/bagel/html/_static/doctools.js
/usr/share/doc/bagel/html/_static/documentation_options.js
/usr/share/doc/bagel/html/_static/down-pressed.png
/usr/share/doc/bagel/html/_static/down.png
/usr/share/doc/bagel/html/_static/file.png
/usr/share/doc/bagel/html/_static/funding.pdf.gz
/usr/share/doc/bagel/html/_static/funding.png
/usr/share/doc/bagel/html/_static/group.jpg
/usr/share/doc/bagel/html/_static/group.png
/usr/share/doc/bagel/html/_static/jquery-3.1.0.js
/usr/share/doc/bagel/html/_static/jquery-3.2.1.js
/usr/share/doc/bagel/html/_static/jquery.js
/usr/share/doc/bagel/html/_static/minus.png
/usr/share/doc/bagel/html/_static/override.css
/usr/share/doc/bagel/html/_static/plus.png
/usr/share/doc/bagel/html/_static/pygments.css
/usr/share/doc/bagel/html/_static/searchtools.js
/usr/share/doc/bagel/html/_static/sidebar.js
/usr/share/doc/bagel/html/_static/underscore-1.3.1.js
/usr/share/doc/bagel/html/_static/underscore.js
/usr/share/doc/bagel/html/_static/up-pressed.png
/usr/share/doc/bagel/html/_static/up.png
/usr/share/doc/bagel/html/_static/websupport.js
/usr/share/doc/bagel/html/asd/asd.html
/usr/share/doc/bagel/html/asd/asd_dmrg.html
/usr/share/doc/bagel/html/asd/asd_orbopt.html
/usr/share/doc/bagel/html/asd/dimer.html
/usr/share/doc/bagel/html/asd/dimer_asd.html
/usr/share/doc/bagel/html/asd/multisite.html
/usr/share/doc/bagel/html/author.html
/usr/share/doc/bagel/html/ci/ci_methods.html
/usr/share/doc/bagel/html/ci/fci.html
/usr/share/doc/bagel/html/ci/rasci.html
/usr/share/doc/bagel/html/ci/zfci.html
/usr/share/doc/bagel/html/funding.html
/usr/share/doc/bagel/html/grad/dynamics.html
/usr/share/doc/bagel/html/grad/force.html
/usr/share/doc/bagel/html/grad/grad.html
/usr/share/doc/bagel/html/grad/hess.html
/usr/share/doc/bagel/html/grad/methods.html
/usr/share/doc/bagel/html/index.html
/usr/share/doc/bagel/html/miscellaneous/localization.html
/usr/share/doc/bagel/html/miscellaneous/misc.html
/usr/share/doc/bagel/html/miscellaneous/molden.html
/usr/share/doc/bagel/html/miscellaneous/moprint.html
/usr/share/doc/bagel/html/miscellaneous/save_ref.html
/usr/share/doc/bagel/html/molecule/molecule-toc.html
/usr/share/doc/bagel/html/molecule/molecule.html
/usr/share/doc/bagel/html/multi/casscf.html
/usr/share/doc/bagel/html/multi/multi.html
/usr/share/doc/bagel/html/multi/zcasscf.html
/usr/share/doc/bagel/html/opt/optimize.html
/usr/share/doc/bagel/html/pt2/caspt2.html
/usr/share/doc/bagel/html/pt2/mp2.html
/usr/share/doc/bagel/html/pt2/nevpt2.html
/usr/share/doc/bagel/html/pt2/pt2.html
/usr/share/doc/bagel/html/pt2/relcaspt2.html
/usr/share/doc/bagel/html/quickstart/how_to_run_bagel.html
/usr/share/doc/bagel/html/quickstart/installation_guide.html
/usr/share/doc/bagel/html/quickstart/quickstart.html
/usr/share/doc/bagel/html/scf/dhf.html
/usr/share/doc/bagel/html/scf/hf.html
/usr/share/doc/bagel/html/scf/scf.html
/usr/share/doc/bagel/html/search.html
/usr/share/doc/bagel/html/searchindex.js
/usr/share/doc/bagel/html/smith/caspt2.html
/usr/share/doc/bagel/html/smith/mrci.html
/usr/share/doc/bagel/html/smith/relcaspt2.html
/usr/share/doc/bagel/html/smith/relmrci.html
/usr/share/doc/bagel/html/smith/smith.html
/usr/share/doc/bagel/html/supp_info/constants.html
/usr/share/doc/bagel/html/supp_info/supp_info.html
/usr/share/doc/bagel/html/user-manual.html