LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2025-03-13 20:41:51 +01:00
Code Releases Activity
quack/basis
History
Pierre-Francois Loos bf7cc8dada clean up
2020-10-14 23:31:14 +02:00
..
3-21++g
basis
2020-01-17 13:57:03 +01:00
3-21++g_star
basis
2020-01-17 13:57:03 +01:00
3-21g
basis
2020-01-17 13:57:03 +01:00
3-21g_star
basis
2020-01-17 13:57:03 +01:00
3-21gsp
basis
2020-01-17 13:57:03 +01:00
4-22gsp
basis
2020-01-17 13:57:03 +01:00
4-31g
basis
2020-01-17 13:57:03 +01:00
5zp
basis
2020-01-17 13:57:03 +01:00
6-31++g
basis
2020-01-17 13:57:03 +01:00
6-31++g_star
basis
2020-01-17 13:57:03 +01:00
6-31++g_star_star
basis
2020-01-17 13:57:03 +01:00
6-31+g
basis
2020-01-17 13:57:03 +01:00
6-31+g_star
basis
2020-01-17 13:57:03 +01:00
6-31g
basis
2020-01-17 13:57:03 +01:00
6-31g_3df_3pd
basis
2020-01-17 13:57:03 +01:00
6-31g_star
basis
2020-01-17 13:57:03 +01:00
6-31g_star_star
basis
2020-01-17 13:57:03 +01:00
6-31g_star-Blaudeau
basis
2020-01-17 13:57:03 +01:00
6-31g-Blaudeau
basis
2020-01-17 13:57:03 +01:00
6-311++g_2d_2p
basis
2020-01-17 13:57:03 +01:00
6-311++g_3df_3pd
basis
2020-01-17 13:57:03 +01:00
6-311++g_star_star
basis
2020-01-17 13:57:03 +01:00
6-311+g_star
basis
2020-01-17 13:57:03 +01:00
6-311g
basis
2020-01-17 13:57:03 +01:00
6-311g_2df_2pd
basis
2020-01-17 13:57:03 +01:00
6-311G_star
basis
2020-01-17 13:57:03 +01:00
6-311G_star_star
basis
2020-01-17 13:57:03 +01:00
6zp
basis
2020-01-17 13:57:03 +01:00
00_README.rst
basis
2020-01-17 13:57:03 +01:00
ano2_ames
basis
2020-01-17 13:57:03 +01:00
ano_ames
basis
2020-01-17 13:57:03 +01:00
ano_bauschlicher
basis
2020-01-17 13:57:03 +01:00
ano-pvdz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
ano-pvqz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
ano-pvtz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
ano-rcc
basis
2020-01-17 13:57:03 +01:00
apr-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
aug-5zp
basis
2020-01-17 13:57:03 +01:00
aug-ano-pvdz_roos
basis
2020-01-17 13:57:03 +01:00
aug-ano-pvtz_roos
basis
2020-01-17 13:57:03 +01:00
aug-cc-pcv5z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pcv_t+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pcvdz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pcvqz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pcvtz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv5z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv5z_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv5z_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv5z-pp
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv6z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv_5+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv_6+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv_d+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvdz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvdz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvdz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvdz-pp
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz_sbd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz-nr
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvqz-pp
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz
unrestricted ACFDT
2020-10-07 18:26:24 +02:00
aug-cc-pvtz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz_sbd
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz-nr
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz-pp
basis
2020-01-17 13:57:03 +01:00
aug-cc-pvtz.native
clean up
2020-10-14 23:31:14 +02:00
aug-cc-pwcv5z
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcv5z-nr
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcvdz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcvqz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcvqz-nr
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcvtz
basis
2020-01-17 13:57:03 +01:00
aug-cc-pwcvtz-nr
basis
2020-01-17 13:57:03 +01:00
aug-dzp
basis
2020-01-17 13:57:03 +01:00
aug-mcc-pv8z
clean up
2020-10-06 14:28:52 +02:00
aug-pc-0
basis
2020-01-17 13:57:03 +01:00
aug-pc-1
basis
2020-01-17 13:57:03 +01:00
aug-pc-2
basis
2020-01-17 13:57:03 +01:00
aug-pc-3
basis
2020-01-17 13:57:03 +01:00
aug-pc-4
basis
2020-01-17 13:57:03 +01:00
aug-pcj-0
basis
2020-01-17 13:57:03 +01:00
aug-pcj-0_2006
basis
2020-01-17 13:57:03 +01:00
aug-pcj-1
basis
2020-01-17 13:57:03 +01:00
aug-pcj-1_2006
basis
2020-01-17 13:57:03 +01:00
aug-pcj-2
basis
2020-01-17 13:57:03 +01:00
aug-pcj-2_2006
basis
2020-01-17 13:57:03 +01:00
aug-pcj-3
basis
2020-01-17 13:57:03 +01:00
aug-pcj-3_2006
basis
2020-01-17 13:57:03 +01:00
aug-pcj-4
basis
2020-01-17 13:57:03 +01:00
aug-pcj-4_2006
basis
2020-01-17 13:57:03 +01:00
aug-pcs-2
basis
2020-01-17 13:57:03 +01:00
aug-pcs-3
basis
2020-01-17 13:57:03 +01:00
aug-pcs-4
basis
2020-01-17 13:57:03 +01:00
aug-pcS-0
basis
2020-01-17 13:57:03 +01:00
aug-pcS-1
basis
2020-01-17 13:57:03 +01:00
aug-pcseg-0
basis
2020-01-17 13:57:03 +01:00
aug-pcseg-1
basis
2020-01-17 13:57:03 +01:00
aug-pcseg-2
basis
2020-01-17 13:57:03 +01:00
aug-pcseg-3
basis
2020-01-17 13:57:03 +01:00
aug-pcseg-4
basis
2020-01-17 13:57:03 +01:00
aug-pcsseg-0
basis
2020-01-17 13:57:03 +01:00
aug-pcsseg-1
basis
2020-01-17 13:57:03 +01:00
aug-pcsseg-2
basis
2020-01-17 13:57:03 +01:00
aug-pcsseg-3
basis
2020-01-17 13:57:03 +01:00
aug-pcsseg-4
basis
2020-01-17 13:57:03 +01:00
aug-pv7z
basis
2020-01-17 13:57:03 +01:00
aug-qzp
basis
2020-01-17 13:57:03 +01:00
aug-tzp
basis
2020-01-17 13:57:03 +01:00
cc-pcv5z
basis
2020-01-17 13:57:03 +01:00
cc-pcv5z0
basis
2020-01-17 13:57:03 +01:00
cc-pcv5z_ames
basis
2020-01-17 13:57:03 +01:00
cc-pcv6z
basis
2020-01-17 13:57:03 +01:00
cc-pcvdz
basis
2020-01-17 13:57:03 +01:00
cc-pcvqz
basis
2020-01-17 13:57:03 +01:00
cc-pcvqz_ames
basis
2020-01-17 13:57:03 +01:00
cc-pcvtz
basis
2020-01-17 13:57:03 +01:00
cc-pcvtz_ames
basis
2020-01-17 13:57:03 +01:00
cc-pv5z
basis
2020-01-17 13:57:03 +01:00
cc-pv5z_ames
basis
2020-01-17 13:57:03 +01:00
cc-pv5z_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
cc-pv5z_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
cc-pv5z-nr
basis
2020-01-17 13:57:03 +01:00
cc-pv5z-pp
basis
2020-01-17 13:57:03 +01:00
cc-pv6z
basis
2020-01-17 13:57:03 +01:00
cc-pv8z
basis
2020-01-17 13:57:03 +01:00
cc-pv9z
basis
2020-01-17 13:57:03 +01:00
cc-pv_5+d_z
basis
2020-01-17 13:57:03 +01:00
cc-pv_6+d_z
basis
2020-01-17 13:57:03 +01:00
cc-pv_d+d_z
basis
2020-01-17 13:57:03 +01:00
cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
cc-pv_t+d_z+
basis
2020-01-17 13:57:03 +01:00
cc-pvdz
basis
2020-01-17 13:57:03 +01:00
cc-pvdz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
cc-pvdz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
cc-pvdz-pp
basis
2020-01-17 13:57:03 +01:00
cc-pvqz
basis
2020-01-17 13:57:03 +01:00
cc-pvqz_ames
basis
2020-01-17 13:57:03 +01:00
cc-pvqz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
cc-pvqz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
cc-pvqz_sdb
basis
2020-01-17 13:57:03 +01:00
cc-pvqz-nr
basis
2020-01-17 13:57:03 +01:00
cc-pvqz-pp
basis
2020-01-17 13:57:03 +01:00
cc-pvtz
basis
2020-01-17 13:57:03 +01:00
cc-pvtz_ames
basis
2020-01-17 13:57:03 +01:00
cc-pvtz_ecp_bfd
basis
2020-01-17 13:57:03 +01:00
cc-pvtz_ecp_ncsu
basis
2020-01-17 13:57:03 +01:00
cc-pvtz_sdb
basis
2020-01-17 13:57:03 +01:00
cc-pvtz-nr
basis
2020-01-17 13:57:03 +01:00
cc-pvtz-pp
basis
2020-01-17 13:57:03 +01:00
cc-pvtz+
basis
2020-01-17 13:57:03 +01:00
cc-pwcv5z
basis
2020-01-17 13:57:03 +01:00
cc-pwcv5z-nr
basis
2020-01-17 13:57:03 +01:00
cc-pwcv5z-pp
basis
2020-01-17 13:57:03 +01:00
cc-pwcvdz
basis
2020-01-17 13:57:03 +01:00
cc-pwcvdz-pp
basis
2020-01-17 13:57:03 +01:00
cc-pwcvqz
basis
2020-01-17 13:57:03 +01:00
cc-pwcvqz-nr
basis
2020-01-17 13:57:03 +01:00
cc-pwcvqz-pp
basis
2020-01-17 13:57:03 +01:00
cc-pwcvtz
basis
2020-01-17 13:57:03 +01:00
cc-pwcvtz-nr
basis
2020-01-17 13:57:03 +01:00
chipman-dzp
basis
2020-01-17 13:57:03 +01:00
chipman-dzp+diffuse
basis
2020-01-17 13:57:03 +01:00
d-aug-cc-pv5z
basis
2020-01-17 13:57:03 +01:00
d-aug-cc-pv6z
basis
2020-01-17 13:57:03 +01:00
d-aug-cc-pvdz
basis
2020-01-17 13:57:03 +01:00
d-aug-cc-pvqz
basis
2020-01-17 13:57:03 +01:00
d-aug-cc-pvtz
basis
2020-01-17 13:57:03 +01:00
def2-qzvp
basis
2020-01-17 13:57:03 +01:00
def2-qzvpd
basis
2020-01-17 13:57:03 +01:00
def2-qzvpp
basis
2020-01-17 13:57:03 +01:00
def2-qzvppd
basis
2020-01-17 13:57:03 +01:00
def2-sv_p
basis
2020-01-17 13:57:03 +01:00
def2-svp
basis
2020-01-17 13:57:03 +01:00
def2-svpd
basis
2020-01-17 13:57:03 +01:00
def2-tzvp
basis
2020-01-17 13:57:03 +01:00
def2-tzvpd
basis
2020-01-17 13:57:03 +01:00
def2-tzvpp
basis
2020-01-17 13:57:03 +01:00
def2-tzvppd
basis
2020-01-17 13:57:03 +01:00
dunning_tz
basis
2020-01-17 13:57:03 +01:00
dz_dunning
basis
2020-01-17 13:57:03 +01:00
dz_dunning-hay
basis
2020-01-17 13:57:03 +01:00
dzp
basis
2020-01-17 13:57:03 +01:00
dzp_dunning
basis
2020-01-17 13:57:03 +01:00
dzpd_dunning
basis
2020-01-17 13:57:03 +01:00
dzpr_dunning
basis
2020-01-17 13:57:03 +01:00
dzq
basis
2020-01-17 13:57:03 +01:00
dzr_dunning
basis
2020-01-17 13:57:03 +01:00
dzvp
basis
2020-01-17 13:57:03 +01:00
dzvp2
basis
2020-01-17 13:57:03 +01:00
ecp10mdf
basis
2020-01-17 13:57:03 +01:00
ecp60mdf
basis
2020-01-17 13:57:03 +01:00
iglo-ii
basis
2020-01-17 13:57:03 +01:00
iglo-iii
basis
2020-01-17 13:57:03 +01:00
jul-cc-pv_d+d_z
basis
2020-01-17 13:57:03 +01:00
jul-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
jul-cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
jun-cc-pv_d+d_z
basis
2020-01-17 13:57:03 +01:00
jun-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
jun-cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
lanl2dz_ecp
basis
2020-01-17 13:57:03 +01:00
lanl2dz_mod
basis
2020-01-17 13:57:03 +01:00
lanl2dzdp_ecp
basis
2020-01-17 13:57:03 +01:00
lanl2tz
basis
2020-01-17 13:57:03 +01:00
lanl2tz+
basis
2020-01-17 13:57:03 +01:00
lanl2tzf
basis
2020-01-17 13:57:03 +01:00
lanl08
basis
2020-01-17 13:57:03 +01:00
lanl08+
basis
2020-01-17 13:57:03 +01:00
lanl08d
basis
2020-01-17 13:57:03 +01:00
lanl08f
basis
2020-01-17 13:57:03 +01:00
m6-31g
basis
2020-01-17 13:57:03 +01:00
maug-cc-pv_d+d_z
basis
2020-01-17 13:57:03 +01:00
maug-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
maug-cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
maug-cc-pvdz
basis
2020-01-17 13:57:03 +01:00
maug-cc-pvqz
basis
2020-01-17 13:57:03 +01:00
maug-cc-pvtz
basis
2020-01-17 13:57:03 +01:00
may-cc-pv_q+d_z
basis
2020-01-17 13:57:03 +01:00
may-cc-pv_t+d_z
basis
2020-01-17 13:57:03 +01:00
mb_ecp_hay-wadt
basis
2020-01-17 13:57:03 +01:00
mg3s
basis
2020-01-17 13:57:03 +01:00
midi_bang
basis
2020-01-17 13:57:03 +01:00
midi_huzinaga
basis
2020-01-17 13:57:03 +01:00
mini
basis
2020-01-17 13:57:03 +01:00
mini_huzinaga
basis
2020-01-17 13:57:03 +01:00
pv6z
basis
2020-01-17 13:57:03 +01:00
pv7z
basis
2020-01-17 13:57:03 +01:00
pvdz_ahlrichs
basis
2020-01-17 13:57:03 +01:00
pvtz_gamess
basis
2020-01-17 13:57:03 +01:00
pvtz_sadlej
basis
2020-01-17 13:57:03 +01:00
qzp
basis
2020-01-17 13:57:03 +01:00
rlc_ecp_stuttgart
basis
2020-01-17 13:57:03 +01:00
rsc_ano_ecp_stuttgart
basis
2020-01-17 13:57:03 +01:00
rsc_ecp_stuttgart
basis
2020-01-17 13:57:03 +01:00
sadlej+
clean up
2020-10-06 14:28:52 +02:00
sbkjc_p_2d
basis
2020-01-17 13:57:03 +01:00
sto-2g
basis
2020-01-17 13:57:03 +01:00
sto-3g
basis
2020-01-17 13:57:03 +01:00
sto-3g_star
basis
2020-01-17 13:57:03 +01:00
sto-6g_star
basis
2020-01-17 13:57:03 +01:00
sv_binning-curtiss
basis
2020-01-17 13:57:03 +01:00
sv_dunning-hay
basis
2020-01-17 13:57:03 +01:00
svp_binning-curtiss
basis
2020-01-17 13:57:03 +01:00
svp_dunning-hay
basis
2020-01-17 13:57:03 +01:00
svpd_dunning-hay
basis
2020-01-17 13:57:03 +01:00
svpdr
basis
2020-01-17 13:57:03 +01:00
svpr_dunning-hay
basis
2020-01-17 13:57:03 +01:00
svr_dunning-hay
basis
2020-01-17 13:57:03 +01:00
svrr_dunning-hay
basis
2020-01-17 13:57:03 +01:00
tzp
basis
2020-01-17 13:57:03 +01:00
tzv_ahlrichs
basis
2020-01-17 13:57:03 +01:00
tzvp
basis
2020-01-17 13:57:03 +01:00
ugbs
basis
2020-01-17 13:57:03 +01:00
uncontracted_1_partridge
basis
2020-01-17 13:57:03 +01:00
uncontracted_2_partridge
basis
2020-01-17 13:57:03 +01:00
uncontracted_3_partridge
basis
2020-01-17 13:57:03 +01:00
uncontracted_4_partridge
basis
2020-01-17 13:57:03 +01:00
vdz_ahlrichs
basis
2020-01-17 13:57:03 +01:00
vdz_ecp_hay-wadt
basis
2020-01-17 13:57:03 +01:00
vdz_sbkjc_ecp
basis
2020-01-17 13:57:03 +01:00
vtz_ahlrichs
basis
2020-01-17 13:57:03 +01:00
vtz_binning-curtiss
basis
2020-01-17 13:57:03 +01:00
vtz_gamess
basis
2020-01-17 13:57:03 +01:00
vtz_mclean-chandler
basis
2020-01-17 13:57:03 +01:00
vtzp_binning-curtiss
basis
2020-01-17 13:57:03 +01:00
wachters+f
basis
2020-01-17 13:57:03 +01:00