Source code for basislistdunning

"""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 *


[docs]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')