Anouar Benali f133cb1e9f NCSU ECP and Basis set (#41) ... * 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 * ECP from ncsu * Update Readme file with description of Basis Set		2019-05-28 15:39:09 +02:00
..
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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	NCSU ECP and Basis set (#41)	2019-05-28 15:39:09 +02:00
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