psi4-data_0.3-5_all.deb


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Description

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

Distribution: Ubuntu 16.04 LTS (Xenial Xerus)
Repository: Ubuntu Universe amd64
Package name: psi4-data
Package version: 0.3
Package release: 5
Package architecture: all
Package type: deb
Installed size: 95.64 KB
Download size: 9.29 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

    Download

    Binary package: psi4-data_0.3-5_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

    • /usr/share/doc/psi4-data/changelog.Debian.gz
    • /usr/share/doc/psi4-data/copyright
    • /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/mp2_5-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/omp2_5-2.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_libefp.html
    • /usr/share/doc/psi4/html/autodoc_testsuite_mrcc.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/conda.html
    • /usr/share/doc/psi4/html/contents.html
    • /usr/share/doc/psi4/html/contributing.html
    • /usr/share/doc/psi4/html/cp.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/fnocc.html
    • /usr/share/doc/psi4/html/freq.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/installfile.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/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/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/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/tutorial.html
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    • /usr/share/psi/samples/castup1/input.dat
    • /usr/share/psi/samples/castup2/input.dat
    • /usr/share/psi/samples/castup3/input.dat
    • /usr/share/psi/samples/cc1/input.dat
    • /usr/share/psi/samples/cc10/input.dat
    • /usr/share/psi/samples/cc11/input.dat
    • /usr/share/psi/samples/cc12/input.dat
    • /usr/share/psi/samples/cc13/input.dat
    • /usr/share/psi/samples/cc13a/input.dat
    • /usr/share/psi/samples/cc14/input.dat
    • /usr/share/psi/samples/cc15/input.dat
    • /usr/share/psi/samples/cc16/input.dat
    • /usr/share/psi/samples/cc17/input.dat
    • /usr/share/psi/samples/cc18/input.dat
    • /usr/share/psi/samples/cc19/input.dat
    • /usr/share/psi/samples/cc2/input.dat
    • /usr/share/psi/samples/cc21/input.dat
    • /usr/share/psi/samples/cc22/input.dat
    • /usr/share/psi/samples/cc23/input.dat
    • /usr/share/psi/samples/cc24/input.dat
    • /usr/share/psi/samples/cc25/input.dat
    • /usr/share/psi/samples/cc26/input.dat
    • /usr/share/psi/samples/cc27/input.dat
    • /usr/share/psi/samples/cc28/input.dat
    • /usr/share/psi/samples/cc29/input.dat
    • /usr/share/psi/samples/cc3/input.dat
    • /usr/share/psi/samples/cc30/input.dat
    • /usr/share/psi/samples/cc31/input.dat
    • /usr/share/psi/samples/cc32/input.dat
    • /usr/share/psi/samples/cc33/input.dat
    • /usr/share/psi/samples/cc34/input.dat
    • /usr/share/psi/samples/cc35/input.dat
    • /usr/share/psi/samples/cc36/input.dat
    • /usr/share/psi/samples/cc37/input.dat
    • /usr/share/psi/samples/cc38/input.dat
    • /usr/share/psi/samples/cc39/input.dat
    • /usr/share/psi/samples/cc4/input.dat
    • /usr/share/psi/samples/cc40/input.dat
    • /usr/share/psi/samples/cc41/input.dat
    • /usr/share/psi/samples/cc42/input.dat
    • /usr/share/psi/samples/cc43/input.dat
    • /usr/share/psi/samples/cc44/input.dat
    • /usr/share/psi/samples/cc45/input.dat
    • /usr/share/psi/samples/cc46/input.dat
    • /usr/share/psi/samples/cc47/input.dat
    • /usr/share/psi/samples/cc48/input.dat
    • /usr/share/psi/samples/cc49/input.dat
    • /usr/share/psi/samples/cc4a/input.dat
    • /usr/share/psi/samples/cc5/input.dat
    • /usr/share/psi/samples/cc50/input.dat
    • /usr/share/psi/samples/cc51/input.dat
    • /usr/share/psi/samples/cc52/input.dat
    • /usr/share/psi/samples/cc53/input.dat
    • /usr/share/psi/samples/cc54/input.dat
    • /usr/share/psi/samples/cc55/input.dat
    • /usr/share/psi/samples/cc5a/input.dat
    • /usr/share/psi/samples/cc6/input.dat
    • /usr/share/psi/samples/cc8/input.dat
    • /usr/share/psi/samples/cc8a/input.dat
    • /usr/share/psi/samples/cc8b/input.dat
    • /usr/share/psi/samples/cc8c/input.dat
    • /usr/share/psi/samples/cc9/input.dat
    • /usr/share/psi/samples/cc9a/input.dat
    • /usr/share/psi/samples/cdomp2-1/input.dat
    • /usr/share/psi/samples/cdomp2-2/input.dat
    • /usr/share/psi/samples/cepa0-grad1/input.dat
    • /usr/share/psi/samples/cepa0-grad2/input.dat
    • /usr/share/psi/samples/cepa1/input.dat
    • /usr/share/psi/samples/cepa2/input.dat
    • /usr/share/psi/samples/cepa3/input.dat
    • /usr/share/psi/samples/cfour/dfmp2-1/input.dat
    • /usr/share/psi/samples/cfour/kw-1/input.dat
    • /usr/share/psi/samples/cfour/kw-2/input.dat
    • /usr/share/psi/samples/cfour/kw-3/input.dat
    • /usr/share/psi/samples/cfour/kw-4/input.dat
    • /usr/share/psi/samples/cfour/kw-5/input.dat
    • /usr/share/psi/samples/cfour/kw-6/input.dat
    • /usr/share/psi/samples/cfour/kw-7/input.dat
    • /usr/share/psi/samples/cfour/kw-8/input.dat
    • /usr/share/psi/samples/cfour/mints5/input.dat
    • /usr/share/psi/samples/cfour/mints5-grad/input.dat
    • /usr/share/psi/samples/cfour/mp2-1/input.dat
    • /usr/share/psi/samples/cfour/opt-rhf-ccsd_t_/input.dat
    • /usr/share/psi/samples/cfour/opt-rhf-ccsd_t_-ecc/input.dat
    • /usr/share/psi/samples/cfour/opt-rhf-mp2/input.dat
    • /usr/share/psi/samples/cfour/opt-rhf-scf/input.dat
    • /usr/share/psi/samples/cfour/psi-a24-grad/input.dat
    • /usr/share/psi/samples/cfour/psi-ghost-grad/input.dat
    • /usr/share/psi/samples/cfour/psi-mp4/input.dat
    • /usr/share/psi/samples/cfour/psi-rhf-mp3/input.dat
    • /usr/share/psi/samples/cfour/psi-rhf-scsmp2/input.dat
    • /usr/share/psi/samples/cfour/psi-rohf-scsmp2/input.dat
    • /usr/share/psi/samples/cfour/psi-uhf-mp3/input.dat
    • /usr/share/psi/samples/cfour/psi-uhf-scsmp2/input.dat
    • /usr/share/psi/samples/cfour/puream/input.dat
    • /usr/share/psi/samples/cfour/pywrap-basis/input.dat
    • /usr/share/psi/samples/cfour/pywrap-cbs1/input.dat

    Changelog

    See psi4_0.3-5_amd64.deb changelog.
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