psi4-data_1.0-1_all.deb


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Description

psi4-data - Quantum Chemical Program Suite (data files)

Property Value
Distribution Ubuntu 17.10 (Artful Aardvark)
Repository Ubuntu Universe i386
Package name psi4-data
Package version 1.0
Package release 1
Package architecture all
Package type deb
Installed size 95.62 KB
Download size 9.23 MB
Official Mirror archive.ubuntu.com
PSI4 is an ab-initio quantum chemistry program.  It is especially designed to
accurately compute properties of small to medium molecules using highly
correlated techniques. PSI4 is the parallelized successor of PSI3 and includes
many state-of-the-art theoretical methods.
This package contains data files and the HTML documentation.

Alternatives

Package Version Architecture Repository
psi4-data_1.0-1_all.deb 1.0 all Ubuntu Universe
psi4-data - - -

Download

Type URL
Binary Package psi4-data_1.0-1_all.deb
Source Package psi4

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install psi4-data deb package:
    # sudo apt-get install psi4-data

Files

Path
/usr/share/doc/psi4-data/changelog.Debian.gz
/usr/share/doc/psi4-data/copyright
/usr/share/doc/psi4/examples/adc1.dat
/usr/share/doc/psi4/examples/castup1.dat
/usr/share/doc/psi4/examples/cc1.dat
/usr/share/doc/psi4/examples/cc12.dat
/usr/share/doc/psi4/examples/cc15.dat
/usr/share/doc/psi4/examples/cc16.dat
/usr/share/doc/psi4/examples/cc17.dat
/usr/share/doc/psi4/examples/cc18.dat
/usr/share/doc/psi4/examples/cc19.dat
/usr/share/doc/psi4/examples/cc2.dat
/usr/share/doc/psi4/examples/cc23.dat
/usr/share/doc/psi4/examples/cc24.dat
/usr/share/doc/psi4/examples/cc28.dat
/usr/share/doc/psi4/examples/cc3.dat
/usr/share/doc/psi4/examples/cc32.dat
/usr/share/doc/psi4/examples/cc4.dat
/usr/share/doc/psi4/examples/cc49.dat
/usr/share/doc/psi4/examples/cc8.dat
/usr/share/doc/psi4/examples/cc8a.dat
/usr/share/doc/psi4/examples/ci-multi.dat
/usr/share/doc/psi4/examples/cisd-h2o+-0.dat
/usr/share/doc/psi4/examples/cisd-opt-fd.dat
/usr/share/doc/psi4/examples/dcft1.dat
/usr/share/doc/psi4/examples/dcft2.dat
/usr/share/doc/psi4/examples/dcft3.dat
/usr/share/doc/psi4/examples/dcft4.dat
/usr/share/doc/psi4/examples/dfmp2-1.dat
/usr/share/doc/psi4/examples/dft1.dat
/usr/share/doc/psi4/examples/fci-dipole.dat
/usr/share/doc/psi4/examples/fnocc2.dat
/usr/share/doc/psi4/examples/fnocc4.dat
/usr/share/doc/psi4/examples/gibbs.dat
/usr/share/doc/psi4/examples/matrix1.dat
/usr/share/doc/psi4/examples/mcscf1.dat
/usr/share/doc/psi4/examples/mints1.dat.gz
/usr/share/doc/psi4/examples/mints2.dat
/usr/share/doc/psi4/examples/mp2p5-grad1.dat
/usr/share/doc/psi4/examples/mpn-bh.dat
/usr/share/doc/psi4/examples/ocepa-grad2.dat
/usr/share/doc/psi4/examples/ocepa1.dat
/usr/share/doc/psi4/examples/omp2-2.dat
/usr/share/doc/psi4/examples/omp2-grad1.dat
/usr/share/doc/psi4/examples/omp2p5-2.dat
/usr/share/doc/psi4/examples/omp3-1.dat
/usr/share/doc/psi4/examples/opt1-fd.dat
/usr/share/doc/psi4/examples/opt1.dat
/usr/share/doc/psi4/examples/psimrcc-sp1.dat
/usr/share/doc/psi4/examples/pywrap-alias.dat
/usr/share/doc/psi4/examples/pywrap-all.dat
/usr/share/doc/psi4/examples/pywrap-cbs1.dat
/usr/share/doc/psi4/examples/pywrap-checkrun-rhf.dat.gz
/usr/share/doc/psi4/examples/pywrap-db1.dat
/usr/share/doc/psi4/examples/pywrap-db2.dat
/usr/share/doc/psi4/examples/pywrap-freq-e-sowreap.dat
/usr/share/doc/psi4/examples/rasci-h2o.dat
/usr/share/doc/psi4/examples/sad1.dat
/usr/share/doc/psi4/examples/sapt1.dat
/usr/share/doc/psi4/examples/scf-guess-read.dat
/usr/share/doc/psi4/examples/scf1.dat
/usr/share/doc/psi4/examples/scf2.dat
/usr/share/doc/psi4/examples/scf3.dat
/usr/share/doc/psi4/examples/scf5.dat
/usr/share/doc/psi4/examples/tu1-h2o-energy.dat
/usr/share/doc/psi4/examples/tu2-ch2-energy.dat
/usr/share/doc/psi4/examples/tu3-h2o-opt.dat
/usr/share/doc/psi4/examples/tu4-h2o-freq.dat
/usr/share/doc/psi4/examples/tu5-sapt.dat
/usr/share/doc/psi4/html/.buildinfo
/usr/share/doc/psi4/html/adc.html
/usr/share/doc/psi4/html/appendices.html
/usr/share/doc/psi4/html/autodoc_available_databases.html
/usr/share/doc/psi4/html/autodoc_available_efpfrag.html
/usr/share/doc/psi4/html/autodoc_basissets_byfamily.html
/usr/share/doc/psi4/html/autodoc_dft_all.html
/usr/share/doc/psi4/html/autodoc_dft_dhybrid.html
/usr/share/doc/psi4/html/autodoc_dft_disp.html
/usr/share/doc/psi4/html/autodoc_dft_energy.html
/usr/share/doc/psi4/html/autodoc_dft_gga.html
/usr/share/doc/psi4/html/autodoc_dft_hybrid.html
/usr/share/doc/psi4/html/autodoc_dft_lrc.html
/usr/share/doc/psi4/html/autodoc_dft_meta.html
/usr/share/doc/psi4/html/autodoc_dft_opt.html
/usr/share/doc/psi4/html/autodoc_driver.html
/usr/share/doc/psi4/html/autodoc_glossary_options_c.html
/usr/share/doc/psi4/html/autodoc_options_c_bymodule.html
/usr/share/doc/psi4/html/autodoc_physconst.html
/usr/share/doc/psi4/html/autodoc_psi4bases.html
/usr/share/doc/psi4/html/autodoc_psifiles.html
/usr/share/doc/psi4/html/autodoc_psimod.html
/usr/share/doc/psi4/html/autodoc_psivariables_bymodule.html
/usr/share/doc/psi4/html/autodoc_testsuite_cfour.html
/usr/share/doc/psi4/html/autodoc_testsuite_corepsi4.html
/usr/share/doc/psi4/html/autodoc_testsuite_dftd3.html
/usr/share/doc/psi4/html/autodoc_testsuite_dmrg.html
/usr/share/doc/psi4/html/autodoc_testsuite_libefp.html
/usr/share/doc/psi4/html/autodoc_testsuite_mrcc.html
/usr/share/doc/psi4/html/autodoc_testsuite_pcmsolver.html
/usr/share/doc/psi4/html/basissets.html
/usr/share/doc/psi4/html/basissets_byelement.html
/usr/share/doc/psi4/html/basissets_byfamily.html
/usr/share/doc/psi4/html/basissets_tables.html
/usr/share/doc/psi4/html/bestpractices_py.html
/usr/share/doc/psi4/html/bibliography.html
/usr/share/doc/psi4/html/cbs.html
/usr/share/doc/psi4/html/cbs_eqn.html
/usr/share/doc/psi4/html/cc.html
/usr/share/doc/psi4/html/cfour.html
/usr/share/doc/psi4/html/cfour_table_energy.html
/usr/share/doc/psi4/html/cfour_table_grad.html
/usr/share/doc/psi4/html/chemps2.html
/usr/share/doc/psi4/html/conda.html
/usr/share/doc/psi4/html/contents.html
/usr/share/doc/psi4/html/contributing.html
/usr/share/doc/psi4/html/cubeprop.html
/usr/share/doc/psi4/html/customizing.html
/usr/share/doc/psi4/html/db.html
/usr/share/doc/psi4/html/dcft.html
/usr/share/doc/psi4/html/detci.html
/usr/share/doc/psi4/html/dfmp2.html
/usr/share/doc/psi4/html/dft.html
/usr/share/doc/psi4/html/dft_byfunctional.html
/usr/share/doc/psi4/html/dftd3.html
/usr/share/doc/psi4/html/diatomic.html
/usr/share/doc/psi4/html/dkh.html
/usr/share/doc/psi4/html/documentation.html
/usr/share/doc/psi4/html/energy.html
/usr/share/doc/psi4/html/external.html
/usr/share/doc/psi4/html/fchk.html
/usr/share/doc/psi4/html/fnocc.html
/usr/share/doc/psi4/html/freq.html
/usr/share/doc/psi4/html/gdma.html
/usr/share/doc/psi4/html/genindex.html
/usr/share/doc/psi4/html/glossary_psivariables.html
/usr/share/doc/psi4/html/index.html
/usr/share/doc/psi4/html/intercalls.html
/usr/share/doc/psi4/html/interfacing.html
/usr/share/doc/psi4/html/introduction.html
/usr/share/doc/psi4/html/libefp.html
/usr/share/doc/psi4/html/methods.html
/usr/share/doc/psi4/html/molden.html
/usr/share/doc/psi4/html/mrcc.html
/usr/share/doc/psi4/html/mrcc_table_energy.html
/usr/share/doc/psi4/html/nbody.html
/usr/share/doc/psi4/html/notes_c.html
/usr/share/doc/psi4/html/notes_py.html
/usr/share/doc/psi4/html/objects.inv
/usr/share/doc/psi4/html/occ.html
/usr/share/doc/psi4/html/oeprop.html
/usr/share/doc/psi4/html/opt.html
/usr/share/doc/psi4/html/optionshandling.html
/usr/share/doc/psi4/html/optking.html
/usr/share/doc/psi4/html/pcmsolver.html
/usr/share/doc/psi4/html/pep0001.html
/usr/share/doc/psi4/html/plugins.html
/usr/share/doc/psi4/html/proc_py.html
/usr/share/doc/psi4/html/prog_basissets.html
/usr/share/doc/psi4/html/programming.html
/usr/share/doc/psi4/html/prop.html
/usr/share/doc/psi4/html/psimrcc.html
/usr/share/doc/psi4/html/psipep.html
/usr/share/doc/psi4/html/psithonfunc.html
/usr/share/doc/psi4/html/psithoninput.html
/usr/share/doc/psi4/html/psithonmol.html
/usr/share/doc/psi4/html/py-modindex.html
/usr/share/doc/psi4/html/quickaddalias.html
/usr/share/doc/psi4/html/quickadddatabase.html
/usr/share/doc/psi4/html/relativistic.html
/usr/share/doc/psi4/html/sapt.html
/usr/share/doc/psi4/html/scf.html
/usr/share/doc/psi4/html/search.html
/usr/share/doc/psi4/html/searchindex.js
/usr/share/doc/psi4/html/sowreap.html
/usr/share/doc/psi4/html/testsuite.html
/usr/share/doc/psi4/html/thermo.html
/usr/share/doc/psi4/html/tutorial.html
/usr/share/doc/psi4/html/_downloads/gdma-2.2.06.pdf.gz
/usr/share/doc/psi4/html/_images/AlphaMOs.png
/usr/share/doc/psi4/html/_images/psi4banner.png
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/usr/share/psi/samples/sapt6/input.dat
/usr/share/psi/samples/sapt6/test.in
/usr/share/psi/samples/scf-bs/input.dat
/usr/share/psi/samples/scf-bs/test.in
/usr/share/psi/samples/scf-bz2/input.dat
/usr/share/psi/samples/scf-bz2/test.in
/usr/share/psi/samples/scf-guess-read/input.dat
/usr/share/psi/samples/scf-guess-read/test.in
/usr/share/psi/samples/scf-property/input.dat
/usr/share/psi/samples/scf-property/test.in
/usr/share/psi/samples/scf1/input.dat
/usr/share/psi/samples/scf1/test.in
/usr/share/psi/samples/scf11-freq-from-energies/input.dat
/usr/share/psi/samples/scf11-freq-from-energies/test.in
/usr/share/psi/samples/scf2/input.dat
/usr/share/psi/samples/scf2/test.in
/usr/share/psi/samples/scf3/input.dat
/usr/share/psi/samples/scf3/test.in
/usr/share/psi/samples/scf4/input.dat
/usr/share/psi/samples/scf4/test.in
/usr/share/psi/samples/scf5/input.dat
/usr/share/psi/samples/scf5/test.in
/usr/share/psi/samples/scf6/input.dat
/usr/share/psi/samples/scf6/test.in
/usr/share/psi/samples/soscf1/input.dat
/usr/share/psi/samples/soscf1/test.in
/usr/share/psi/samples/soscf2/input.dat
/usr/share/psi/samples/soscf2/test.in
/usr/share/psi/samples/stability1/input.dat
/usr/share/psi/samples/stability1/test.in
/usr/share/psi/samples/stability2/input.dat
/usr/share/psi/samples/stability2/test.in
/usr/share/psi/samples/tu1-h2o-energy/input.dat
/usr/share/psi/samples/tu1-h2o-energy/test.in
/usr/share/psi/samples/tu2-ch2-energy/input.dat
/usr/share/psi/samples/tu2-ch2-energy/test.in
/usr/share/psi/samples/tu3-h2o-opt/input.dat
/usr/share/psi/samples/tu3-h2o-opt/test.in
/usr/share/psi/samples/tu4-h2o-freq/input.dat
/usr/share/psi/samples/tu4-h2o-freq/test.in
/usr/share/psi/samples/tu5-sapt/input.dat
/usr/share/psi/samples/tu5-sapt/test.in
/usr/share/psi/samples/tu6-cp-ne2/input.dat
/usr/share/psi/samples/tu6-cp-ne2/test.in
/usr/share/psi/samples/x2c1/input.dat
/usr/share/psi/samples/x2c1/test.in
/usr/share/psi/samples/x2c2/input.dat
/usr/share/psi/samples/x2c2/test.in
/usr/share/psi/samples/x2c3/input.dat
/usr/share/psi/samples/x2c3/test.in
/usr/share/psi/samples/zaptn-nh2/input.dat
/usr/share/psi/samples/zaptn-nh2/test.in
/usr/share/psi/scripts/apply_license.py
/usr/share/psi/scripts/ixyz2database.py
/usr/share/psi/scripts/patch_grimme_dftd3
/usr/share/psi/scripts/patch_grimme_dftd3.3.0.2
/usr/share/psi/scripts/psi4depend-v2.sh
/usr/share/psi/scripts/setenv.py
/usr/share/psi/scripts/valgrind-python.supp
/usr/share/psi/scripts/vmd_cube.py

Changelog

See psi4_1.0-1_i386.deb changelog.

See Also

Package Description
psi4_1.0-1_i386.deb Quantum Chemical Program Suite
psi_0.15-4_i386.deb Jabber client using Qt
psignifit_2.5.6-3.1_i386.deb Fitting and testing hypotheses about psychometric functions
psk31lx_2.1-1build1_i386.deb PSK31 terminal application with text-based user interface
psl-make-dafsa_0.18.0-2_all.deb Create a binary DAFSA from a Public Suffix List
psl_0.18.0-2_i386.deb Explore the Public Suffix List
pslib-dev_0.4.5-3.1build1_i386.deb development files for pslib
pslib1_0.4.5-3.1build1_i386.deb library to create PostScript files
pslist_1.3.1-2_all.deb utility that controls a process and its descendants
pspresent_1.3-4_i386.deb fullscreen PostScript presentation tool
psrip_1.3-7_all.deb Extract images from PostScript files
pssh_2.3.1-1_all.deb Parallel versions of SSH-based tools
pst-utils_0.6.59-1ubuntu1_i386.deb tools for reading Microsoft Outlook PST files
pstack_1.3.1-1_i386.deb Display stack trace of a running process
pstoedit_3.70-5_i386.deb PostScript and PDF files to editable vector graphics converter
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