LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-02-26 18:38:45 +01:00
Code Releases Activity
qp2/data/basis
History
anbenali 5d951efd51 Update Readme file with description of Basis Set
2019-05-24 13:55:43 -05:00
..
3-21++g
Initial commit
2019-01-25 11:39:31 +01:00
3-21++g_star
Initial commit
2019-01-25 11:39:31 +01:00
3-21g
Initial commit
2019-01-25 11:39:31 +01:00
3-21g_star
Initial commit
2019-01-25 11:39:31 +01:00
3-21gsp
Initial commit
2019-01-25 11:39:31 +01:00
4-22gsp
Initial commit
2019-01-25 11:39:31 +01:00
4-31g
Initial commit
2019-01-25 11:39:31 +01:00
5zp
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31++g_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31+g
Initial commit
2019-01-25 11:39:31 +01:00
6-31+g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31g
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_3df_3pd
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6-31g_star-Blaudeau
Initial commit
2019-01-25 11:39:31 +01:00
6-31g-Blaudeau
Initial commit
2019-01-25 11:39:31 +01:00
6-311++g_2d_2p
Initial commit
2019-01-25 11:39:31 +01:00
6-311++g_3df_3pd
Initial commit
2019-01-25 11:39:31 +01:00
6-311++g_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6-311+g_star
Initial commit
2019-01-25 11:39:31 +01:00
6-311g
Initial commit
2019-01-25 11:39:31 +01:00
6-311g_2df_2pd
Initial commit
2019-01-25 11:39:31 +01:00
6-311G_star
Initial commit
2019-01-25 11:39:31 +01:00
6-311G_star_star
Initial commit
2019-01-25 11:39:31 +01:00
6zp
Initial commit
2019-01-25 11:39:31 +01:00
00_README.rst
Update Readme file with description of Basis Set
2019-05-24 13:55:43 -05:00
ano2_ames
Initial commit
2019-01-25 11:39:31 +01:00
ano_ames
Initial commit
2019-01-25 11:39:31 +01:00
ano_bauschlicher
Initial commit
2019-01-25 11:39:31 +01:00
ano-pvdz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
ano-pvqz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
ano-pvtz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
ano-rcc
Initial commit
2019-01-25 11:39:31 +01:00
apr-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-5zp
Initial commit
2019-01-25 11:39:31 +01:00
aug-ano-pvdz_roos
Initial commit
2019-01-25 11:39:31 +01:00
aug-ano-pvtz_roos
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pcv5z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pcv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pcvdz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pcvqz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pcvtz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv5z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv5z_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv5z_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
aug-cc-pv5z-pp
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv6z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv_5+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv_6+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv_d+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvdz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
aug-cc-pvdz-pp
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
aug-cc-pvqz_sbd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvqz-pp
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
aug-cc-pvtz_sbd
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pvtz-pp
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcv5z
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcv5z-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcvdz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcvqz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcvtz
Initial commit
2019-01-25 11:39:31 +01:00
aug-cc-pwcvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
aug-dzp
Initial commit
2019-01-25 11:39:31 +01:00
aug-pc-0
Initial commit
2019-01-25 11:39:31 +01:00
aug-pc-1
Initial commit
2019-01-25 11:39:31 +01:00
aug-pc-2
Initial commit
2019-01-25 11:39:31 +01:00
aug-pc-3
Initial commit
2019-01-25 11:39:31 +01:00
aug-pc-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-0
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-0_2006
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-1
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-1_2006
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-2
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-2_2006
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-3
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-3_2006
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcj-4_2006
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcs-2
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcs-3
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcs-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcS-0
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcS-1
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcseg-0
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcseg-1
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcseg-2
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcseg-3
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcseg-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcsseg-0
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcsseg-1
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcsseg-2
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcsseg-3
Initial commit
2019-01-25 11:39:31 +01:00
aug-pcsseg-4
Initial commit
2019-01-25 11:39:31 +01:00
aug-pv7z
Initial commit
2019-01-25 11:39:31 +01:00
aug-qzp
Initial commit
2019-01-25 11:39:31 +01:00
aug-tzp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z0
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv5z_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcv6z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvdz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvqz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvqz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvtz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pcvtz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
cc-pv5z-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv5z-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv6z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv8z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv9z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_5+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_6+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_d+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pv_t+d_z+
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvdz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
cc-pvdz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
cc-pvqz_sdb
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvqz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz_ames
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_bfd
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_ncsu
Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar
2019-05-24 12:18:48 -05:00
cc-pvtz_sdb
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pvtz+
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcv5z
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcv5z-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcv5z-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvdz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvdz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvqz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvqz-nr
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvqz-pp
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvtz
Initial commit
2019-01-25 11:39:31 +01:00
cc-pwcvtz-nr
Initial commit
2019-01-25 11:39:31 +01:00
chipman-dzp
Initial commit
2019-01-25 11:39:31 +01:00
chipman-dzp+diffuse
Initial commit
2019-01-25 11:39:31 +01:00
d-aug-cc-pv5z
Initial commit
2019-01-25 11:39:31 +01:00
d-aug-cc-pv6z
Initial commit
2019-01-25 11:39:31 +01:00
d-aug-cc-pvdz
Initial commit
2019-01-25 11:39:31 +01:00
d-aug-cc-pvqz
Initial commit
2019-01-25 11:39:31 +01:00
d-aug-cc-pvtz
Initial commit
2019-01-25 11:39:31 +01:00
def2-qzvp
Initial commit
2019-01-25 11:39:31 +01:00
def2-qzvpd
Initial commit
2019-01-25 11:39:31 +01:00
def2-qzvpp
Initial commit
2019-01-25 11:39:31 +01:00
def2-qzvppd
Initial commit
2019-01-25 11:39:31 +01:00
def2-sv_p
Initial commit
2019-01-25 11:39:31 +01:00
def2-svp
Initial commit
2019-01-25 11:39:31 +01:00
def2-svpd
Initial commit
2019-01-25 11:39:31 +01:00
def2-tzvp
Initial commit
2019-01-25 11:39:31 +01:00
def2-tzvpd
Initial commit
2019-01-25 11:39:31 +01:00
def2-tzvpp
Initial commit
2019-01-25 11:39:31 +01:00
def2-tzvppd
Initial commit
2019-01-25 11:39:31 +01:00
dunning_tz
Initial commit
2019-01-25 11:39:31 +01:00
dz_dunning
Initial commit
2019-01-25 11:39:31 +01:00
dz_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
dzp
Initial commit
2019-01-25 11:39:31 +01:00
dzp_dunning
Initial commit
2019-01-25 11:39:31 +01:00
dzpd_dunning
Initial commit
2019-01-25 11:39:31 +01:00
dzpr_dunning
Initial commit
2019-01-25 11:39:31 +01:00
dzq
Initial commit
2019-01-25 11:39:31 +01:00
dzr_dunning
Initial commit
2019-01-25 11:39:31 +01:00
dzvp
Initial commit
2019-01-25 11:39:31 +01:00
dzvp2
Initial commit
2019-01-25 11:39:31 +01:00
ecp10mdf
Initial commit
2019-01-25 11:39:31 +01:00
ecp60mdf
Initial commit
2019-01-25 11:39:31 +01:00
iglo-ii
Initial commit
2019-01-25 11:39:31 +01:00
iglo-iii
Initial commit
2019-01-25 11:39:31 +01:00
jul-cc-pv_d+d_z
Initial commit
2019-01-25 11:39:31 +01:00
jul-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
jul-cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
jun-cc-pv_d+d_z
Initial commit
2019-01-25 11:39:31 +01:00
jun-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
jun-cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
lanl2dz_ecp
Initial commit
2019-01-25 11:39:31 +01:00
lanl2dz_mod
Initial commit
2019-01-25 11:39:31 +01:00
lanl2dzdp_ecp
Initial commit
2019-01-25 11:39:31 +01:00
lanl2tz
Initial commit
2019-01-25 11:39:31 +01:00
lanl2tz+
Initial commit
2019-01-25 11:39:31 +01:00
lanl2tzf
Initial commit
2019-01-25 11:39:31 +01:00
lanl08
Initial commit
2019-01-25 11:39:31 +01:00
lanl08+
Initial commit
2019-01-25 11:39:31 +01:00
lanl08d
Initial commit
2019-01-25 11:39:31 +01:00
lanl08f
Initial commit
2019-01-25 11:39:31 +01:00
m6-31g
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pv_d+d_z
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pvdz
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pvqz
Initial commit
2019-01-25 11:39:31 +01:00
maug-cc-pvtz
Initial commit
2019-01-25 11:39:31 +01:00
may-cc-pv_q+d_z
Initial commit
2019-01-25 11:39:31 +01:00
may-cc-pv_t+d_z
Initial commit
2019-01-25 11:39:31 +01:00
mb_ecp_hay-wadt
Initial commit
2019-01-25 11:39:31 +01:00
mg3s
Initial commit
2019-01-25 11:39:31 +01:00
midi_bang
Initial commit
2019-01-25 11:39:31 +01:00
midi_huzinaga
Initial commit
2019-01-25 11:39:31 +01:00
mini
Initial commit
2019-01-25 11:39:31 +01:00
mini_huzinaga
Initial commit
2019-01-25 11:39:31 +01:00
pv6z
Initial commit
2019-01-25 11:39:31 +01:00
pv7z
Initial commit
2019-01-25 11:39:31 +01:00
pvdz_ahlrichs
Initial commit
2019-01-25 11:39:31 +01:00
pvtz_gamess
Initial commit
2019-01-25 11:39:31 +01:00
pvtz_sadlej
Initial commit
2019-01-25 11:39:31 +01:00
qzp
Initial commit
2019-01-25 11:39:31 +01:00
rlc_ecp_stuttgart
Initial commit
2019-01-25 11:39:31 +01:00
rsc_ano_ecp_stuttgart
Initial commit
2019-01-25 11:39:31 +01:00
rsc_ecp_stuttgart
Initial commit
2019-01-25 11:39:31 +01:00
sbkjc_p_2d
Initial commit
2019-01-25 11:39:31 +01:00
sto-2g
Initial commit
2019-01-25 11:39:31 +01:00
sto-3g
Initial commit
2019-01-25 11:39:31 +01:00
sto-3g_star
Initial commit
2019-01-25 11:39:31 +01:00
sto-6g_star
Initial commit
2019-01-25 11:39:31 +01:00
sv_binning-curtiss
Initial commit
2019-01-25 11:39:31 +01:00
sv_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
svp_binning-curtiss
Initial commit
2019-01-25 11:39:31 +01:00
svp_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
svpd_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
svpdr
Initial commit
2019-01-25 11:39:31 +01:00
svpr_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
svr_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
svrr_dunning-hay
Initial commit
2019-01-25 11:39:31 +01:00
tzp
Initial commit
2019-01-25 11:39:31 +01:00
tzv_ahlrichs
Initial commit
2019-01-25 11:39:31 +01:00
tzvp
Initial commit
2019-01-25 11:39:31 +01:00
ugbs
Initial commit
2019-01-25 11:39:31 +01:00
uncontracted_1_partridge
Initial commit
2019-01-25 11:39:31 +01:00
uncontracted_2_partridge
Initial commit
2019-01-25 11:39:31 +01:00
uncontracted_3_partridge
Initial commit
2019-01-25 11:39:31 +01:00
uncontracted_4_partridge
Initial commit
2019-01-25 11:39:31 +01:00
vdz_ahlrichs
Initial commit
2019-01-25 11:39:31 +01:00
vdz_ecp_hay-wadt
Initial commit
2019-01-25 11:39:31 +01:00
vdz_sbkjc_ecp
Initial commit
2019-01-25 11:39:31 +01:00
vtz_ahlrichs
Initial commit
2019-01-25 11:39:31 +01:00
vtz_binning-curtiss
Initial commit
2019-01-25 11:39:31 +01:00
vtz_gamess
Initial commit
2019-01-25 11:39:31 +01:00
vtz_mclean-chandler
Initial commit
2019-01-25 11:39:31 +01:00
vtzp_binning-curtiss
Initial commit
2019-01-25 11:39:31 +01:00
wachters+f
Initial commit
2019-01-25 11:39:31 +01:00