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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-18 18:45:19 +02:00
qp2/data/basis
2023-09-25 14:17:00 +02:00
..
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
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
ano2_ames 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 Added copper to cc-pcvdz 2023-02-06 13:49:10 +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 5z_bfd basis 2023-09-25 14:17:00 +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
none allow no basis set 2023-05-10 15:05:18 +02:00
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