| .. |
|
2zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
2zapa-nr-cv
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
3-21g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
3zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
3zapa-nr-cv
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
4-31g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
4zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
4zapa-nr-cv
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
5zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
5zapa-nr-cv
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
6-31++g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31++g_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31++g_star_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31+g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31+g_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31g_3df_3pd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31g_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-31g_star_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311++g_2d_2p
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311++g_3df_3pd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311++g_star_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311+g_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311g_2df_2pd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311G_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6-311G_star_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
6zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
7zapa-nr
|
Added ZaPa-NR basis sets
|
2020-06-05 17:04:01 +02:00 |
|
00_README.rst
|
Merge branch 'master' into features_emsl
|
2020-02-12 14:01:42 -06:00 |
|
ano2_ames
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
ano_ames
|
Documentation in configure
|
2020-02-04 19:04:36 +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
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
apr-cc-pv_q+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +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
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pcv5z_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
aug-cc-pcvdz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pcvdz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
aug-cc-pcvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pcvqz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
aug-cc-pcvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pcvtz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
aug-cc-pv5z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pv5z_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
aug-cc-pv5z_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
aug-cc-pv6z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pvdz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pvdz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
aug-cc-pvdz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
aug-cc-pvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pvqz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
aug-cc-pvqz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
aug-cc-pvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pvtz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
aug-cc-pvtz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
aug-cc-pwcv5z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pwcvdz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pwcvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
aug-cc-pwcvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pcv5z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pcv5z_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
cc-pcvdz
|
fixed bug in vectorized integ
|
2022-12-10 14:14:45 +01:00 |
|
cc-pcvdz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
cc-pcvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pcvqz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
cc-pcvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pcvtz_ecp_ccecp
|
Added hydrogen in ccECP
|
2020-05-11 10:21:01 +02:00 |
|
cc-pv5z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pv5z_ecp_bfd
|
Fix basis set
|
2022-08-01 08:44:07 +02:00 |
|
cc-pv5z_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
cc-pv6z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pv8z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pv9z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pvdz
|
Added basis module for easy export
|
2021-05-21 18:26:50 +02:00 |
|
cc-pvdz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
cc-pvdz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
cc-pvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pvqz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
cc-pvqz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
cc-pvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pvtz_ecp_bfd
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
cc-pvtz_ecp_ccecp
|
Added missing atoms to ccECP basis
|
2020-05-11 11:26:42 +02:00 |
|
cc-pwcv5z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pwcvdz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pwcvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
cc-pwcvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +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
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
d-aug-cc-pv6z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
d-aug-cc-pvdz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
d-aug-cc-pvqz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
d-aug-cc-pvtz
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-qzvp
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-qzvpd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-qzvpp
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-qzvppd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-sv_p
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-svp
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-svpd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-tzvp
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-tzvpd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-tzvpp
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
def2-tzvppd
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
install.py
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jul-cc-pv_d+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jul-cc-pv_q+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jul-cc-pv_t+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jun-cc-pv_d+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jun-cc-pv_q+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
jun-cc-pv_t+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
lanl08
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
lanl08+
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
lanl08d
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
lanl08f
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
m6-31g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
may-cc-pv_q+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
may-cc-pv_t+d_z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
midi_bang
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
midi_huzinaga
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
mini
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
pv6z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
pv7z
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
pvdz_ahlrichs
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-2g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-3g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-3g_star
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-4g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-5g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
|
sto-6g
|
Documentation in configure
|
2020-02-04 19:04:36 +01:00 |
