### Navigation

- index
- modules
- toc
- PSI4 [beta5] »
- Module code »

# Source code for p4util.basislistdunning

    #
    #@BEGIN LICENSE
    #
    # PSI4: an ab initio quantum chemistry software package
    #
    # This program is free software; you can redistribute it and/or modify
    # it under the terms of the GNU General Public License as published by
    # the Free Software Foundation; either version 2 of the License, or
    # (at your option) any later version.
    #
    # This program is distributed in the hope that it will be useful,
    # but WITHOUT ANY WARRANTY; without even the implied warranty of
    # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    # GNU General Public License for more details.
    #
    # You should have received a copy of the GNU General Public License along
    # with this program; if not, write to the Free Software Foundation, Inc.,
    # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
    #
    #@END LICENSE
    #

    """Module (auto-generated from make_dunning.pl script)
    with commands building :py:class:`~basislist.BasisFamily` objects that
    encode the Dunning basis set orbital definitions in
    :source:`lib/basis/NOTES` and fitting bases designed for those
    orbital bases.

    """
    from basislist import *

    def load_basfam_dunning():

        basis_ccpvdz = BasisFamily('cc-pVDZ')
        basisfamily_list.append(basis_ccpvdz)
        basis_ccpv_dpd_z = BasisFamily('cc-pV(D+d)Z')
        basisfamily_list.append(basis_ccpv_dpd_z)
        basis_ccpcvdz = BasisFamily('cc-pCVDZ')
        basisfamily_list.append(basis_ccpcvdz)
        basis_ccpcv_dpd_z = BasisFamily('cc-pCV(D+d)Z')
        basisfamily_list.append(basis_ccpcv_dpd_z)
        basis_ccpwcvdz = BasisFamily('cc-pwCVDZ')
        basisfamily_list.append(basis_ccpwcvdz)
        basis_ccpwcv_dpd_z = BasisFamily('cc-pwCV(D+d)Z')
        basisfamily_list.append(basis_ccpwcv_dpd_z)
        basis_augccpvdz = BasisFamily('aug-cc-pVDZ')
        basisfamily_list.append(basis_augccpvdz)
        basis_augccpv_dpd_z = BasisFamily('aug-cc-pV(D+d)Z')
        basisfamily_list.append(basis_augccpv_dpd_z)
        basis_augccpcvdz = BasisFamily('aug-cc-pCVDZ')
        basisfamily_list.append(basis_augccpcvdz)
        basis_augccpcv_dpd_z = BasisFamily('aug-cc-pCV(D+d)Z')
        basisfamily_list.append(basis_augccpcv_dpd_z)
        basis_augccpwcvdz = BasisFamily('aug-cc-pwCVDZ')
        basisfamily_list.append(basis_augccpwcvdz)
        basis_augccpwcv_dpd_z = BasisFamily('aug-cc-pwCV(D+d)Z')
        basisfamily_list.append(basis_augccpwcv_dpd_z)
        basis_heavyaugccpvdz = BasisFamily('heavy-aug-cc-pVDZ')
        basisfamily_list.append(basis_heavyaugccpvdz)
        basis_heavyaugccpv_dpd_z = BasisFamily('heavy-aug-cc-pV(D+d)Z')
        basisfamily_list.append(basis_heavyaugccpv_dpd_z)
        basis_heavyaugccpcvdz = BasisFamily('heavy-aug-cc-pCVDZ')
        basisfamily_list.append(basis_heavyaugccpcvdz)
        basis_heavyaugccpcv_dpd_z = BasisFamily('heavy-aug-cc-pCV(D+d)Z')
        basisfamily_list.append(basis_heavyaugccpcv_dpd_z)
        basis_heavyaugccpwcvdz = BasisFamily('heavy-aug-cc-pwCVDZ')
        basisfamily_list.append(basis_heavyaugccpwcvdz)
        basis_heavyaugccpwcv_dpd_z = BasisFamily('heavy-aug-cc-pwCV(D+d)Z')
        basisfamily_list.append(basis_heavyaugccpwcv_dpd_z)
        basis_junccpvdz = BasisFamily('jun-cc-pVDZ')
        basisfamily_list.append(basis_junccpvdz)
        basis_junccpv_dpd_z = BasisFamily('jun-cc-pV(D+d)Z')
        basisfamily_list.append(basis_junccpv_dpd_z)
        basis_junccpcvdz = BasisFamily('jun-cc-pCVDZ')
        basisfamily_list.append(basis_junccpcvdz)
        basis_junccpcv_dpd_z = BasisFamily('jun-cc-pCV(D+d)Z')
        basisfamily_list.append(basis_junccpcv_dpd_z)
        basis_junccpwcvdz = BasisFamily('jun-cc-pwCVDZ')
        basisfamily_list.append(basis_junccpwcvdz)
        basis_junccpwcv_dpd_z = BasisFamily('jun-cc-pwCV(D+d)Z')
        basisfamily_list.append(basis_junccpwcv_dpd_z)
        basis_daugccpvdz = BasisFamily('d-aug-cc-pVDZ')
        basisfamily_list.append(basis_daugccpvdz)
        basis_daugccpcvdz = BasisFamily('d-aug-cc-pCVDZ')
        basisfamily_list.append(basis_daugccpcvdz)
        basis_daugccpwcvdz = BasisFamily('d-aug-cc-pwCVDZ')
        basisfamily_list.append(basis_daugccpwcvdz)
        basis_ccpvdz.add_rifit('cc-pVDZ-RI')
        basis_ccpv_dpd_z.add_rifit('cc-pVDZ-RI')
        basis_ccpwcvdz.add_rifit('cc-pwCVDZ-RI')
        basis_ccpwcv_dpd_z.add_rifit('cc-pwCVDZ-RI')
        basis_augccpvdz.add_rifit('aug-cc-pVDZ-RI')
        basis_augccpv_dpd_z.add_rifit('aug-cc-pVDZ-RI')
        basis_augccpwcvdz.add_rifit('aug-cc-pwCVDZ-RI')
        basis_augccpwcv_dpd_z.add_rifit('aug-cc-pwCVDZ-RI')
        basis_heavyaugccpvdz.add_rifit('heavy-aug-cc-pVDZ-RI')
        basis_heavyaugccpv_dpd_z.add_rifit('heavy-aug-cc-pVDZ-RI')
        basis_heavyaugccpwcvdz.add_rifit('heavy-aug-cc-pwCVDZ-RI')
        basis_heavyaugccpwcv_dpd_z.add_rifit('heavy-aug-cc-pwCVDZ-RI')
        basis_junccpvdz.add_rifit('jun-cc-pVDZ-RI')
        basis_junccpv_dpd_z.add_rifit('jun-cc-pVDZ-RI')
        basis_junccpwcvdz.add_rifit('jun-cc-pwCVDZ-RI')
        basis_junccpwcv_dpd_z.add_rifit('jun-cc-pwCVDZ-RI')
        basis_ccpvdz.add_jkfit('cc-pVDZ-JKFIT')
        basis_ccpv_dpd_z.add_jkfit('cc-pVDZ-JKFIT')
        basis_augccpvdz.add_jkfit('aug-cc-pVDZ-JKFIT')
        basis_augccpv_dpd_z.add_jkfit('aug-cc-pVDZ-JKFIT')
        basis_heavyaugccpvdz.add_jkfit('heavy-aug-cc-pVDZ-JKFIT')
        basis_heavyaugccpv_dpd_z.add_jkfit('heavy-aug-cc-pVDZ-JKFIT')
        basis_junccpvdz.add_jkfit('jun-cc-pVDZ-JKFIT')
        basis_junccpv_dpd_z.add_jkfit('jun-cc-pVDZ-JKFIT')
        basis_ccpvdzdk = BasisFamily('cc-pVDZ-DK')
        basisfamily_list.append(basis_ccpvdzdk)
        basis_ccpcvdzdk = BasisFamily('cc-pCVDZ-DK')
        basisfamily_list.append(basis_ccpcvdzdk)
        basis_augccpvdzdk = BasisFamily('aug-cc-pVDZ-DK')
        basisfamily_list.append(basis_augccpvdzdk)
        basis_augccpcvdzdk = BasisFamily('aug-cc-pCVDZ-DK')
        basisfamily_list.append(basis_augccpcvdzdk)
        basis_heavyaugccpvdzdk = BasisFamily('heavy-aug-cc-pVDZ-DK')
        basisfamily_list.append(basis_heavyaugccpvdzdk)
        basis_heavyaugccpcvdzdk = BasisFamily('heavy-aug-cc-pCVDZ-DK')
        basisfamily_list.append(basis_heavyaugccpcvdzdk)
        basis_ccpvtz = BasisFamily('cc-pVTZ')
        basisfamily_list.append(basis_ccpvtz)
        basis_ccpv_tpd_z = BasisFamily('cc-pV(T+d)Z')
        basisfamily_list.append(basis_ccpv_tpd_z)
        basis_ccpcvtz = BasisFamily('cc-pCVTZ')
        basisfamily_list.append(basis_ccpcvtz)
        basis_ccpcv_tpd_z = BasisFamily('cc-pCV(T+d)Z')
        basisfamily_list.append(basis_ccpcv_tpd_z)
        basis_ccpwcvtz = BasisFamily('cc-pwCVTZ')
        basisfamily_list.append(basis_ccpwcvtz)
        basis_ccpwcv_tpd_z = BasisFamily('cc-pwCV(T+d)Z')
        basisfamily_list.append(basis_ccpwcv_tpd_z)
        basis_augccpvtz = BasisFamily('aug-cc-pVTZ')
        basisfamily_list.append(basis_augccpvtz)
        basis_augccpv_tpd_z = BasisFamily('aug-cc-pV(T+d)Z')
        basisfamily_list.append(basis_augccpv_tpd_z)
        basis_augccpcvtz = BasisFamily('aug-cc-pCVTZ')
        basisfamily_list.append(basis_augccpcvtz)
        basis_augccpcv_tpd_z = BasisFamily('aug-cc-pCV(T+d)Z')
        basisfamily_list.append(basis_augccpcv_tpd_z)
        basis_augccpwcvtz = BasisFamily('aug-cc-pwCVTZ')
        basisfamily_list.append(basis_augccpwcvtz)
        basis_augccpwcv_tpd_z = BasisFamily('aug-cc-pwCV(T+d)Z')
        basisfamily_list.append(basis_augccpwcv_tpd_z)
        basis_heavyaugccpvtz = BasisFamily('heavy-aug-cc-pVTZ')
        basisfamily_list.append(basis_heavyaugccpvtz)
        basis_heavyaugccpv_tpd_z = BasisFamily('heavy-aug-cc-pV(T+d)Z')
        basisfamily_list.append(basis_heavyaugccpv_tpd_z)
        basis_heavyaugccpcvtz = BasisFamily('heavy-aug-cc-pCVTZ')
        basisfamily_list.append(basis_heavyaugccpcvtz)
        basis_heavyaugccpcv_tpd_z = BasisFamily('heavy-aug-cc-pCV(T+d)Z')
        basisfamily_list.append(basis_heavyaugccpcv_tpd_z)
        basis_heavyaugccpwcvtz = BasisFamily('heavy-aug-cc-pwCVTZ')
        basisfamily_list.append(basis_heavyaugccpwcvtz)
        basis_heavyaugccpwcv_tpd_z = BasisFamily('heavy-aug-cc-pwCV(T+d)Z')
        basisfamily_list.append(basis_heavyaugccpwcv_tpd_z)
        basis_junccpvtz = BasisFamily('jun-cc-pVTZ')
        basisfamily_list.append(basis_junccpvtz)
        basis_junccpv_tpd_z = BasisFamily('jun-cc-pV(T+d)Z')
        basisfamily_list.append(basis_junccpv_tpd_z)
        basis_junccpcvtz = BasisFamily('jun-cc-pCVTZ')
        basisfamily_list.append(basis_junccpcvtz)
        basis_junccpcv_tpd_z = BasisFamily('jun-cc-pCV(T+d)Z')
        basisfamily_list.append(basis_junccpcv_tpd_z)
        basis_junccpwcvtz = BasisFamily('jun-cc-pwCVTZ')
        basisfamily_list.append(basis_junccpwcvtz)
        basis_junccpwcv_tpd_z = BasisFamily('jun-cc-pwCV(T+d)Z')
        basisfamily_list.append(basis_junccpwcv_tpd_z)
        basis_mayccpvtz = BasisFamily('may-cc-pVTZ')
        basisfamily_list.append(basis_mayccpvtz)
        basis_mayccpv_tpd_z = BasisFamily('may-cc-pV(T+d)Z')
        basisfamily_list.append(basis_mayccpv_tpd_z)
        basis_mayccpcvtz = BasisFamily('may-cc-pCVTZ')
        basisfamily_list.append(basis_mayccpcvtz)
        basis_mayccpcv_tpd_z = BasisFamily('may-cc-pCV(T+d)Z')
        basisfamily_list.append(basis_mayccpcv_tpd_z)
        basis_mayccpwcvtz = BasisFamily('may-cc-pwCVTZ')
        basisfamily_list.append(basis_mayccpwcvtz)
        basis_mayccpwcv_tpd_z = BasisFamily('may-cc-pwCV(T+d)Z')
        basisfamily_list.append(basis_mayccpwcv_tpd_z)
        basis_daugccpvtz = BasisFamily('d-aug-cc-pVTZ')
        basisfamily_list.append(basis_daugccpvtz)
        basis_daugccpcvtz = BasisFamily('d-aug-cc-pCVTZ')
        basisfamily_list.append(basis_daugccpcvtz)
        basis_daugccpwcvtz = BasisFamily('d-aug-cc-pwCVTZ')
        basisfamily_list.append(basis_daugccpwcvtz)
        basis_ccpvtz.add_rifit('cc-pVTZ-RI')
        basis_ccpv_tpd_z.add_rifit('cc-pVTZ-RI')
        basis_ccpwcvtz.add_rifit('cc-pwCVTZ-RI')
        basis_ccpwcv_tpd_z.add_rifit('cc-pwCVTZ-RI')
        basis_augccpvtz.add_rifit('aug-cc-pVTZ-RI')
        basis_augccpv_tpd_z.add_rifit('aug-cc-pVTZ-RI')
        basis_augccpwcvtz.add_rifit('aug-cc-pwCVTZ-RI')
        basis_augccpwcv_tpd_z.add_rifit('aug-cc-pwCVTZ-RI')
        basis_heavyaugccpvtz.add_rifit('heavy-aug-cc-pVTZ-RI')
        basis_heavyaugccpv_tpd_z.add_rifit('heavy-aug-cc-pVTZ-RI')
        basis_heavyaugccpwcvtz.add_rifit('heavy-aug-cc-pwCVTZ-RI')
        basis_heavyaugccpwcv_tpd_z.add_rifit('heavy-aug-cc-pwCVTZ-RI')
        basis_junccpvtz.add_rifit('jun-cc-pVTZ-RI')
        basis_junccpv_tpd_z.add_rifit('jun-cc-pVTZ-RI')
        basis_junccpwcvtz.add_rifit('jun-cc-pwCVTZ-RI')
        basis_junccpwcv_tpd_z.add_rifit('jun-cc-pwCVTZ-RI')
        basis_mayccpvtz.add_rifit('may-cc-pVTZ-RI')
        basis_mayccpv_tpd_z.add_rifit('may-cc-pVTZ-RI')
        basis_mayccpwcvtz.add_rifit('may-cc-pwCVTZ-RI')
        basis_mayccpwcv_tpd_z.add_rifit('may-cc-pwCVTZ-RI')
        basis_ccpvtz.add_jkfit('cc-pVTZ-JKFIT')
        basis_ccpv_tpd_z.add_jkfit('cc-pVTZ-JKFIT')
        basis_augccpvtz.add_jkfit('aug-cc-pVTZ-JKFIT')
        basis_augccpv_tpd_z.add_jkfit('aug-cc-pVTZ-JKFIT')
        basis_heavyaugccpvtz.add_jkfit('heavy-aug-cc-pVTZ-JKFIT')
        basis_heavyaugccpv_tpd_z.add_jkfit('heavy-aug-cc-pVTZ-JKFIT')
        basis_junccpvtz.add_jkfit('jun-cc-pVTZ-JKFIT')
        basis_junccpv_tpd_z.add_jkfit('jun-cc-pVTZ-JKFIT')
        basis_mayccpvtz.add_jkfit('may-cc-pVTZ-JKFIT')
        basis_mayccpv_tpd_z.add_jkfit('may-cc-pVTZ-JKFIT')
        basis_ccpvtzdk = BasisFamily('cc-pVTZ-DK')
        basisfamily_list.append(basis_ccpvtzdk)
        basis_ccpcvtzdk = BasisFamily('cc-pCVTZ-DK')
        basisfamily_list.append(basis_ccpcvtzdk)
        basis_ccpwcvtzdk = BasisFamily('cc-pwCVTZ-DK')
        basisfamily_list.append(basis_ccpwcvtzdk)
        basis_augccpvtzdk = BasisFamily('aug-cc-pVTZ-DK')
        basisfamily_list.append(basis_augccpvtzdk)
        basis_augccpcvtzdk = BasisFamily('aug-cc-pCVTZ-DK')
        basisfamily_list.append(basis_augccpcvtzdk)
        basis_augccpwcvtzdk = BasisFamily('aug-cc-pwCVTZ-DK')
        basisfamily_list.append(basis_augccpwcvtzdk)
        basis_heavyaugccpvtzdk = BasisFamily('heavy-aug-cc-pVTZ-DK')
        basisfamily_list.append(basis_heavyaugccpvtzdk)
        basis_heavyaugccpcvtzdk = BasisFamily('heavy-aug-cc-pCVTZ-DK')
        basisfamily_list.append(basis_heavyaugccpcvtzdk)
        basis_heavyaugccpwcvtzdk = BasisFamily('heavy-aug-cc-pwCVTZ-DK')
        basisfamily_list.append(basis_heavyaugccpwcvtzdk)
        basis_ccpvqz = BasisFamily('cc-pVQZ')
        basisfamily_list.append(basis_ccpvqz)
        basis_ccpv_qpd_z = BasisFamily('cc-pV(Q+d)Z')
        basisfamily_list.append(basis_ccpv_qpd_z)
        basis_ccpcvqz = BasisFamily('cc-pCVQZ')
        basisfamily_list.append(basis_ccpcvqz)
        basis_ccpcv_qpd_z = BasisFamily('cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_ccpcv_qpd_z)
        basis_ccpwcvqz = BasisFamily('cc-pwCVQZ')
        basisfamily_list.append(basis_ccpwcvqz)
        basis_ccpwcv_qpd_z = BasisFamily('cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_ccpwcv_qpd_z)
        basis_augccpvqz = BasisFamily('aug-cc-pVQZ')
        basisfamily_list.append(basis_augccpvqz)
        basis_augccpv_qpd_z = BasisFamily('aug-cc-pV(Q+d)Z')
        basisfamily_list.append(basis_augccpv_qpd_z)
        basis_augccpcvqz = BasisFamily('aug-cc-pCVQZ')
        basisfamily_list.append(basis_augccpcvqz)
        basis_augccpcv_qpd_z = BasisFamily('aug-cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_augccpcv_qpd_z)
        basis_augccpwcvqz = BasisFamily('aug-cc-pwCVQZ')
        basisfamily_list.append(basis_augccpwcvqz)
        basis_augccpwcv_qpd_z = BasisFamily('aug-cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_augccpwcv_qpd_z)
        basis_heavyaugccpvqz = BasisFamily('heavy-aug-cc-pVQZ')
        basisfamily_list.append(basis_heavyaugccpvqz)
        basis_heavyaugccpv_qpd_z = BasisFamily('heavy-aug-cc-pV(Q+d)Z')
        basisfamily_list.append(basis_heavyaugccpv_qpd_z)
        basis_heavyaugccpcvqz = BasisFamily('heavy-aug-cc-pCVQZ')
        basisfamily_list.append(basis_heavyaugccpcvqz)
        basis_heavyaugccpcv_qpd_z = BasisFamily('heavy-aug-cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_heavyaugccpcv_qpd_z)
        basis_heavyaugccpwcvqz = BasisFamily('heavy-aug-cc-pwCVQZ')
        basisfamily_list.append(basis_heavyaugccpwcvqz)
        basis_heavyaugccpwcv_qpd_z = BasisFamily('heavy-aug-cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_heavyaugccpwcv_qpd_z)
        basis_junccpvqz = BasisFamily('jun-cc-pVQZ')
        basisfamily_list.append(basis_junccpvqz)
        basis_junccpv_qpd_z = BasisFamily('jun-cc-pV(Q+d)Z')
        basisfamily_list.append(basis_junccpv_qpd_z)
        basis_junccpcvqz = BasisFamily('jun-cc-pCVQZ')
        basisfamily_list.append(basis_junccpcvqz)
        basis_junccpcv_qpd_z = BasisFamily('jun-cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_junccpcv_qpd_z)
        basis_junccpwcvqz = BasisFamily('jun-cc-pwCVQZ')
        basisfamily_list.append(basis_junccpwcvqz)
        basis_junccpwcv_qpd_z = BasisFamily('jun-cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_junccpwcv_qpd_z)
        basis_mayccpvqz = BasisFamily('may-cc-pVQZ')
        basisfamily_list.append(basis_mayccpvqz)
        basis_mayccpv_qpd_z = BasisFamily('may-cc-pV(Q+d)Z')
        basisfamily_list.append(basis_mayccpv_qpd_z)
        basis_mayccpcvqz = BasisFamily('may-cc-pCVQZ')
        basisfamily_list.append(basis_mayccpcvqz)
        basis_mayccpcv_qpd_z = BasisFamily('may-cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_mayccpcv_qpd_z)
        basis_mayccpwcvqz = BasisFamily('may-cc-pwCVQZ')
        basisfamily_list.append(basis_mayccpwcvqz)
        basis_mayccpwcv_qpd_z = BasisFamily('may-cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_mayccpwcv_qpd_z)
        basis_aprccpvqz = BasisFamily('apr-cc-pVQZ')
        basisfamily_list.append(basis_aprccpvqz)
        basis_aprccpv_qpd_z = BasisFamily('apr-cc-pV(Q+d)Z')
        basisfamily_list.append(basis_aprccpv_qpd_z)
        basis_aprccpcvqz = BasisFamily('apr-cc-pCVQZ')
        basisfamily_list.append(basis_aprccpcvqz)
        basis_aprccpcv_qpd_z = BasisFamily('apr-cc-pCV(Q+d)Z')
        basisfamily_list.append(basis_aprccpcv_qpd_z)
        basis_aprccpwcvqz = BasisFamily('apr-cc-pwCVQZ')
        basisfamily_list.append(basis_aprccpwcvqz)
        basis_aprccpwcv_qpd_z = BasisFamily('apr-cc-pwCV(Q+d)Z')
        basisfamily_list.append(basis_aprccpwcv_qpd_z)
        basis_daugccpvqz = BasisFamily('d-aug-cc-pVQZ')
        basisfamily_list.append(basis_daugccpvqz)
        basis_daugccpcvqz = BasisFamily('d-aug-cc-pCVQZ')
        basisfamily_list.append(basis_daugccpcvqz)
        basis_daugccpwcvqz = BasisFamily('d-aug-cc-pwCVQZ')
        basisfamily_list.append(basis_daugccpwcvqz)
        basis_ccpvqz.add_rifit('cc-pVQZ-RI')
        basis_ccpv_qpd_z.add_rifit('cc-pVQZ-RI')
        basis_ccpwcvqz.add_rifit('cc-pwCVQZ-RI')
        basis_ccpwcv_qpd_z.add_rifit('cc-pwCVQZ-RI')
        basis_augccpvqz.add_rifit('aug-cc-pVQZ-RI')
        basis_augccpv_qpd_z.add_rifit('aug-cc-pVQZ-RI')
        basis_augccpwcvqz.add_rifit('aug-cc-pwCVQZ-RI')
        basis_augccpwcv_qpd_z.add_rifit('aug-cc-pwCVQZ-RI')
        basis_heavyaugccpvqz.add_rifit('heavy-aug-cc-pVQZ-RI')
        basis_heavyaugccpv_qpd_z.add_rifit('heavy-aug-cc-pVQZ-RI')
        basis_heavyaugccpwcvqz.add_rifit('heavy-aug-cc-pwCVQZ-RI')
        basis_heavyaugccpwcv_qpd_z.add_rifit('heavy-aug-cc-pwCVQZ-RI')
        basis_junccpvqz.add_rifit('jun-cc-pVQZ-RI')
        basis_junccpv_qpd_z.add_rifit('jun-cc-pVQZ-RI')
        basis_junccpwcvqz.add_rifit('jun-cc-pwCVQZ-RI')
        basis_junccpwcv_qpd_z.add_rifit('jun-cc-pwCVQZ-RI')
        basis_mayccpvqz.add_rifit('may-cc-pVQZ-RI')
        basis_mayccpv_qpd_z.add_rifit('may-cc-pVQZ-RI')
        basis_mayccpwcvqz.add_rifit('may-cc-pwCVQZ-RI')
        basis_mayccpwcv_qpd_z.add_rifit('may-cc-pwCVQZ-RI')
        basis_aprccpvqz.add_rifit('apr-cc-pVQZ-RI')
        basis_aprccpv_qpd_z.add_rifit('apr-cc-pVQZ-RI')
        basis_aprccpwcvqz.add_rifit('apr-cc-pwCVQZ-RI')
        basis_aprccpwcv_qpd_z.add_rifit('apr-cc-pwCVQZ-RI')
        basis_ccpvqz.add_jkfit('cc-pVQZ-JKFIT')
        basis_ccpv_qpd_z.add_jkfit('cc-pVQZ-JKFIT')
        basis_augccpvqz.add_jkfit('aug-cc-pVQZ-JKFIT')
        basis_augccpv_qpd_z.add_jkfit('aug-cc-pVQZ-JKFIT')
        basis_heavyaugccpvqz.add_jkfit('heavy-aug-cc-pVQZ-JKFIT')
        basis_heavyaugccpv_qpd_z.add_jkfit('heavy-aug-cc-pVQZ-JKFIT')
        basis_junccpvqz.add_jkfit('jun-cc-pVQZ-JKFIT')
        basis_junccpv_qpd_z.add_jkfit('jun-cc-pVQZ-JKFIT')
        basis_mayccpvqz.add_jkfit('may-cc-pVQZ-JKFIT')
        basis_mayccpv_qpd_z.add_jkfit('may-cc-pVQZ-JKFIT')
        basis_aprccpvqz.add_jkfit('apr-cc-pVQZ-JKFIT')
        basis_aprccpv_qpd_z.add_jkfit('apr-cc-pVQZ-JKFIT')
        basis_ccpvqzdk = BasisFamily('cc-pVQZ-DK')
        basisfamily_list.append(basis_ccpvqzdk)
        basis_ccpcvqzdk = BasisFamily('cc-pCVQZ-DK')
        basisfamily_list.append(basis_ccpcvqzdk)
        basis_ccpwcvqzdk = BasisFamily('cc-pwCVQZ-DK')
        basisfamily_list.append(basis_ccpwcvqzdk)
        basis_augccpvqzdk = BasisFamily('aug-cc-pVQZ-DK')
        basisfamily_list.append(basis_augccpvqzdk)
        basis_augccpcvqzdk = BasisFamily('aug-cc-pCVQZ-DK')
        basisfamily_list.append(basis_augccpcvqzdk)
        basis_augccpwcvqzdk = BasisFamily('aug-cc-pwCVQZ-DK')
        basisfamily_list.append(basis_augccpwcvqzdk)
        basis_heavyaugccpvqzdk = BasisFamily('heavy-aug-cc-pVQZ-DK')
        basisfamily_list.append(basis_heavyaugccpvqzdk)
        basis_heavyaugccpcvqzdk = BasisFamily('heavy-aug-cc-pCVQZ-DK')
        basisfamily_list.append(basis_heavyaugccpcvqzdk)
        basis_heavyaugccpwcvqzdk = BasisFamily('heavy-aug-cc-pwCVQZ-DK')
        basisfamily_list.append(basis_heavyaugccpwcvqzdk)
        basis_ccpv5z = BasisFamily('cc-pV5Z')
        basisfamily_list.append(basis_ccpv5z)
        basis_ccpv_5pd_z = BasisFamily('cc-pV(5+d)Z')
        basisfamily_list.append(basis_ccpv_5pd_z)
        basis_ccpcv5z = BasisFamily('cc-pCV5Z')
        basisfamily_list.append(basis_ccpcv5z)
        basis_ccpcv_5pd_z = BasisFamily('cc-pCV(5+d)Z')
        basisfamily_list.append(basis_ccpcv_5pd_z)
        basis_ccpwcv5z = BasisFamily('cc-pwCV5Z')
        basisfamily_list.append(basis_ccpwcv5z)
        basis_ccpwcv_5pd_z = BasisFamily('cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_ccpwcv_5pd_z)
        basis_augccpv5z = BasisFamily('aug-cc-pV5Z')
        basisfamily_list.append(basis_augccpv5z)
        basis_augccpv_5pd_z = BasisFamily('aug-cc-pV(5+d)Z')
        basisfamily_list.append(basis_augccpv_5pd_z)
        basis_augccpcv5z = BasisFamily('aug-cc-pCV5Z')
        basisfamily_list.append(basis_augccpcv5z)
        basis_augccpcv_5pd_z = BasisFamily('aug-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_augccpcv_5pd_z)
        basis_augccpwcv5z = BasisFamily('aug-cc-pwCV5Z')
        basisfamily_list.append(basis_augccpwcv5z)
        basis_augccpwcv_5pd_z = BasisFamily('aug-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_augccpwcv_5pd_z)
        basis_heavyaugccpv5z = BasisFamily('heavy-aug-cc-pV5Z')
        basisfamily_list.append(basis_heavyaugccpv5z)
        basis_heavyaugccpv_5pd_z = BasisFamily('heavy-aug-cc-pV(5+d)Z')
        basisfamily_list.append(basis_heavyaugccpv_5pd_z)
        basis_heavyaugccpcv5z = BasisFamily('heavy-aug-cc-pCV5Z')
        basisfamily_list.append(basis_heavyaugccpcv5z)
        basis_heavyaugccpcv_5pd_z = BasisFamily('heavy-aug-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_heavyaugccpcv_5pd_z)
        basis_heavyaugccpwcv5z = BasisFamily('heavy-aug-cc-pwCV5Z')
        basisfamily_list.append(basis_heavyaugccpwcv5z)
        basis_heavyaugccpwcv_5pd_z = BasisFamily('heavy-aug-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_heavyaugccpwcv_5pd_z)
        basis_junccpv5z = BasisFamily('jun-cc-pV5Z')
        basisfamily_list.append(basis_junccpv5z)
        basis_junccpv_5pd_z = BasisFamily('jun-cc-pV(5+d)Z')
        basisfamily_list.append(basis_junccpv_5pd_z)
        basis_junccpcv5z = BasisFamily('jun-cc-pCV5Z')
        basisfamily_list.append(basis_junccpcv5z)
        basis_junccpcv_5pd_z = BasisFamily('jun-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_junccpcv_5pd_z)
        basis_junccpwcv5z = BasisFamily('jun-cc-pwCV5Z')
        basisfamily_list.append(basis_junccpwcv5z)
        basis_junccpwcv_5pd_z = BasisFamily('jun-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_junccpwcv_5pd_z)
        basis_mayccpv5z = BasisFamily('may-cc-pV5Z')
        basisfamily_list.append(basis_mayccpv5z)
        basis_mayccpv_5pd_z = BasisFamily('may-cc-pV(5+d)Z')
        basisfamily_list.append(basis_mayccpv_5pd_z)
        basis_mayccpcv5z = BasisFamily('may-cc-pCV5Z')
        basisfamily_list.append(basis_mayccpcv5z)
        basis_mayccpcv_5pd_z = BasisFamily('may-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_mayccpcv_5pd_z)
        basis_mayccpwcv5z = BasisFamily('may-cc-pwCV5Z')
        basisfamily_list.append(basis_mayccpwcv5z)
        basis_mayccpwcv_5pd_z = BasisFamily('may-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_mayccpwcv_5pd_z)
        basis_aprccpv5z = BasisFamily('apr-cc-pV5Z')
        basisfamily_list.append(basis_aprccpv5z)
        basis_aprccpv_5pd_z = BasisFamily('apr-cc-pV(5+d)Z')
        basisfamily_list.append(basis_aprccpv_5pd_z)
        basis_aprccpcv5z = BasisFamily('apr-cc-pCV5Z')
        basisfamily_list.append(basis_aprccpcv5z)
        basis_aprccpcv_5pd_z = BasisFamily('apr-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_aprccpcv_5pd_z)
        basis_aprccpwcv5z = BasisFamily('apr-cc-pwCV5Z')
        basisfamily_list.append(basis_aprccpwcv5z)
        basis_aprccpwcv_5pd_z = BasisFamily('apr-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_aprccpwcv_5pd_z)
        basis_marccpv5z = BasisFamily('mar-cc-pV5Z')
        basisfamily_list.append(basis_marccpv5z)
        basis_marccpv_5pd_z = BasisFamily('mar-cc-pV(5+d)Z')
        basisfamily_list.append(basis_marccpv_5pd_z)
        basis_marccpcv5z = BasisFamily('mar-cc-pCV5Z')
        basisfamily_list.append(basis_marccpcv5z)
        basis_marccpcv_5pd_z = BasisFamily('mar-cc-pCV(5+d)Z')
        basisfamily_list.append(basis_marccpcv_5pd_z)
        basis_marccpwcv5z = BasisFamily('mar-cc-pwCV5Z')
        basisfamily_list.append(basis_marccpwcv5z)
        basis_marccpwcv_5pd_z = BasisFamily('mar-cc-pwCV(5+d)Z')
        basisfamily_list.append(basis_marccpwcv_5pd_z)
        basis_daugccpv5z = BasisFamily('d-aug-cc-pV5Z')
        basisfamily_list.append(basis_daugccpv5z)
        basis_daugccpcv5z = BasisFamily('d-aug-cc-pCV5Z')
        basisfamily_list.append(basis_daugccpcv5z)
        basis_daugccpwcv5z = BasisFamily('d-aug-cc-pwCV5Z')
        basisfamily_list.append(basis_daugccpwcv5z)
        basis_ccpv5z.add_rifit('cc-pV5Z-RI')
        basis_ccpv_5pd_z.add_rifit('cc-pV5Z-RI')
        basis_ccpwcv5z.add_rifit('cc-pwCV5Z-RI')
        basis_ccpwcv_5pd_z.add_rifit('cc-pwCV5Z-RI')
        basis_augccpv5z.add_rifit('aug-cc-pV5Z-RI')
        basis_augccpv_5pd_z.add_rifit('aug-cc-pV5Z-RI')
        basis_augccpwcv5z.add_rifit('aug-cc-pwCV5Z-RI')
        basis_augccpwcv_5pd_z.add_rifit('aug-cc-pwCV5Z-RI')
        basis_heavyaugccpv5z.add_rifit('heavy-aug-cc-pV5Z-RI')
        basis_heavyaugccpv_5pd_z.add_rifit('heavy-aug-cc-pV5Z-RI')
        basis_heavyaugccpwcv5z.add_rifit('heavy-aug-cc-pwCV5Z-RI')
        basis_heavyaugccpwcv_5pd_z.add_rifit('heavy-aug-cc-pwCV5Z-RI')
        basis_junccpv5z.add_rifit('jun-cc-pV5Z-RI')
        basis_junccpv_5pd_z.add_rifit('jun-cc-pV5Z-RI')
        basis_junccpwcv5z.add_rifit('jun-cc-pwCV5Z-RI')
        basis_junccpwcv_5pd_z.add_rifit('jun-cc-pwCV5Z-RI')
        basis_mayccpv5z.add_rifit('may-cc-pV5Z-RI')
        basis_mayccpv_5pd_z.add_rifit('may-cc-pV5Z-RI')
        basis_mayccpwcv5z.add_rifit('may-cc-pwCV5Z-RI')
        basis_mayccpwcv_5pd_z.add_rifit('may-cc-pwCV5Z-RI')
        basis_aprccpv5z.add_rifit('apr-cc-pV5Z-RI')
        basis_aprccpv_5pd_z.add_rifit('apr-cc-pV5Z-RI')
        basis_aprccpwcv5z.add_rifit('apr-cc-pwCV5Z-RI')
        basis_aprccpwcv_5pd_z.add_rifit('apr-cc-pwCV5Z-RI')
        basis_marccpv5z.add_rifit('mar-cc-pV5Z-RI')
        basis_marccpv_5pd_z.add_rifit('mar-cc-pV5Z-RI')
        basis_marccpwcv5z.add_rifit('mar-cc-pwCV5Z-RI')
        basis_marccpwcv_5pd_z.add_rifit('mar-cc-pwCV5Z-RI')
        basis_ccpv5z.add_jkfit('cc-pV5Z-JKFIT')
        basis_ccpv_5pd_z.add_jkfit('cc-pV5Z-JKFIT')
        basis_augccpv5z.add_jkfit('aug-cc-pV5Z-JKFIT')
        basis_augccpv_5pd_z.add_jkfit('aug-cc-pV5Z-JKFIT')
        basis_heavyaugccpv5z.add_jkfit('heavy-aug-cc-pV5Z-JKFIT')
        basis_heavyaugccpv_5pd_z.add_jkfit('heavy-aug-cc-pV5Z-JKFIT')
        basis_junccpv5z.add_jkfit('jun-cc-pV5Z-JKFIT')
        basis_junccpv_5pd_z.add_jkfit('jun-cc-pV5Z-JKFIT')
        basis_mayccpv5z.add_jkfit('may-cc-pV5Z-JKFIT')
        basis_mayccpv_5pd_z.add_jkfit('may-cc-pV5Z-JKFIT')
        basis_aprccpv5z.add_jkfit('apr-cc-pV5Z-JKFIT')
        basis_aprccpv_5pd_z.add_jkfit('apr-cc-pV5Z-JKFIT')
        basis_marccpv5z.add_jkfit('mar-cc-pV5Z-JKFIT')
        basis_marccpv_5pd_z.add_jkfit('mar-cc-pV5Z-JKFIT')
        basis_ccpv5zdk = BasisFamily('cc-pV5Z-DK')
        basisfamily_list.append(basis_ccpv5zdk)
        basis_ccpcv5zdk = BasisFamily('cc-pCV5Z-DK')
        basisfamily_list.append(basis_ccpcv5zdk)
        basis_ccpwcv5zdk = BasisFamily('cc-pwCV5Z-DK')
        basisfamily_list.append(basis_ccpwcv5zdk)
        basis_augccpv5zdk = BasisFamily('aug-cc-pV5Z-DK')
        basisfamily_list.append(basis_augccpv5zdk)
        basis_augccpcv5zdk = BasisFamily('aug-cc-pCV5Z-DK')
        basisfamily_list.append(basis_augccpcv5zdk)
        basis_augccpwcv5zdk = BasisFamily('aug-cc-pwCV5Z-DK')
        basisfamily_list.append(basis_augccpwcv5zdk)
        basis_heavyaugccpv5zdk = BasisFamily('heavy-aug-cc-pV5Z-DK')
        basisfamily_list.append(basis_heavyaugccpv5zdk)
        basis_heavyaugccpcv5zdk = BasisFamily('heavy-aug-cc-pCV5Z-DK')
        basisfamily_list.append(basis_heavyaugccpcv5zdk)
        basis_heavyaugccpwcv5zdk = BasisFamily('heavy-aug-cc-pwCV5Z-DK')
        basisfamily_list.append(basis_heavyaugccpwcv5zdk)
        basis_ccpv6z = BasisFamily('cc-pV6Z')
        basisfamily_list.append(basis_ccpv6z)
        basis_ccpv_6pd_z = BasisFamily('cc-pV(6+d)Z')
        basisfamily_list.append(basis_ccpv_6pd_z)
        basis_ccpcv6z = BasisFamily('cc-pCV6Z')
        basisfamily_list.append(basis_ccpcv6z)
        basis_ccpcv_6pd_z = BasisFamily('cc-pCV(6+d)Z')
        basisfamily_list.append(basis_ccpcv_6pd_z)
        basis_augccpv6z = BasisFamily('aug-cc-pV6Z')
        basisfamily_list.append(basis_augccpv6z)
        basis_augccpv_6pd_z = BasisFamily('aug-cc-pV(6+d)Z')
        basisfamily_list.append(basis_augccpv_6pd_z)
        basis_augccpcv6z = BasisFamily('aug-cc-pCV6Z')
        basisfamily_list.append(basis_augccpcv6z)
        basis_augccpcv_6pd_z = BasisFamily('aug-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_augccpcv_6pd_z)
        basis_heavyaugccpv6z = BasisFamily('heavy-aug-cc-pV6Z')
        basisfamily_list.append(basis_heavyaugccpv6z)
        basis_heavyaugccpv_6pd_z = BasisFamily('heavy-aug-cc-pV(6+d)Z')
        basisfamily_list.append(basis_heavyaugccpv_6pd_z)
        basis_heavyaugccpcv6z = BasisFamily('heavy-aug-cc-pCV6Z')
        basisfamily_list.append(basis_heavyaugccpcv6z)
        basis_heavyaugccpcv_6pd_z = BasisFamily('heavy-aug-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_heavyaugccpcv_6pd_z)
        basis_junccpv6z = BasisFamily('jun-cc-pV6Z')
        basisfamily_list.append(basis_junccpv6z)
        basis_junccpv_6pd_z = BasisFamily('jun-cc-pV(6+d)Z')
        basisfamily_list.append(basis_junccpv_6pd_z)
        basis_junccpcv6z = BasisFamily('jun-cc-pCV6Z')
        basisfamily_list.append(basis_junccpcv6z)
        basis_junccpcv_6pd_z = BasisFamily('jun-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_junccpcv_6pd_z)
        basis_mayccpv6z = BasisFamily('may-cc-pV6Z')
        basisfamily_list.append(basis_mayccpv6z)
        basis_mayccpv_6pd_z = BasisFamily('may-cc-pV(6+d)Z')
        basisfamily_list.append(basis_mayccpv_6pd_z)
        basis_mayccpcv6z = BasisFamily('may-cc-pCV6Z')
        basisfamily_list.append(basis_mayccpcv6z)
        basis_mayccpcv_6pd_z = BasisFamily('may-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_mayccpcv_6pd_z)
        basis_aprccpv6z = BasisFamily('apr-cc-pV6Z')
        basisfamily_list.append(basis_aprccpv6z)
        basis_aprccpv_6pd_z = BasisFamily('apr-cc-pV(6+d)Z')
        basisfamily_list.append(basis_aprccpv_6pd_z)
        basis_aprccpcv6z = BasisFamily('apr-cc-pCV6Z')
        basisfamily_list.append(basis_aprccpcv6z)
        basis_aprccpcv_6pd_z = BasisFamily('apr-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_aprccpcv_6pd_z)
        basis_marccpv6z = BasisFamily('mar-cc-pV6Z')
        basisfamily_list.append(basis_marccpv6z)
        basis_marccpv_6pd_z = BasisFamily('mar-cc-pV(6+d)Z')
        basisfamily_list.append(basis_marccpv_6pd_z)
        basis_marccpcv6z = BasisFamily('mar-cc-pCV6Z')
        basisfamily_list.append(basis_marccpcv6z)
        basis_marccpcv_6pd_z = BasisFamily('mar-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_marccpcv_6pd_z)
        basis_febccpv6z = BasisFamily('feb-cc-pV6Z')
        basisfamily_list.append(basis_febccpv6z)
        basis_febccpv_6pd_z = BasisFamily('feb-cc-pV(6+d)Z')
        basisfamily_list.append(basis_febccpv_6pd_z)
        basis_febccpcv6z = BasisFamily('feb-cc-pCV6Z')
        basisfamily_list.append(basis_febccpcv6z)
        basis_febccpcv_6pd_z = BasisFamily('feb-cc-pCV(6+d)Z')
        basisfamily_list.append(basis_febccpcv_6pd_z)
        basis_daugccpv6z = BasisFamily('d-aug-cc-pV6Z')
        basisfamily_list.append(basis_daugccpv6z)
        basis_daugccpcv6z = BasisFamily('d-aug-cc-pCV6Z')
        basisfamily_list.append(basis_daugccpcv6z)
        basis_ccpv6z.add_rifit('cc-pV6Z-RI')
        basis_ccpv_6pd_z.add_rifit('cc-pV6Z-RI')
        basis_augccpv6z.add_rifit('aug-cc-pV6Z-RI')
        basis_augccpv_6pd_z.add_rifit('aug-cc-pV6Z-RI')
        basis_heavyaugccpv6z.add_rifit('heavy-aug-cc-pV6Z-RI')
        basis_heavyaugccpv_6pd_z.add_rifit('heavy-aug-cc-pV6Z-RI')
        basis_junccpv6z.add_rifit('jun-cc-pV6Z-RI')
        basis_junccpv_6pd_z.add_rifit('jun-cc-pV6Z-RI')
        basis_mayccpv6z.add_rifit('may-cc-pV6Z-RI')
        basis_mayccpv_6pd_z.add_rifit('may-cc-pV6Z-RI')
        basis_aprccpv6z.add_rifit('apr-cc-pV6Z-RI')
        basis_aprccpv_6pd_z.add_rifit('apr-cc-pV6Z-RI')
        basis_marccpv6z.add_rifit('mar-cc-pV6Z-RI')
        basis_marccpv_6pd_z.add_rifit('mar-cc-pV6Z-RI')
        basis_febccpv6z.add_rifit('feb-cc-pV6Z-RI')
        basis_febccpv_6pd_z.add_rifit('feb-cc-pV6Z-RI')
        basis_ccpvtz.add_dualfit('cc-pvtz-dual')
        basis_ccpvqz.add_dualfit('cc-pvqz-dual')
        basis_augccpvdz.add_dualfit('aug-cc-pvdz-dual')
        basis_augccpvtz.add_dualfit('aug-cc-pvtz-dual')
        basis_augccpvqz.add_dualfit('aug-cc-pvqz-dual')
        basis_heavyaugccpvtz.add_dualfit('heavy-aug-cc-pvtz-dual')
        basis_heavyaugccpvqz.add_dualfit('heavy-aug-cc-pvqz-dual')

### Navigation

- index
- modules
- toc
- PSI4 [beta5] »
- Module code »