mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-25 05:31:48 +02:00
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
This commit is contained in:
parent
1d33bd119b
commit
83a9ce67db
3535
data/basis/aug-cc-pv5z_ecp_ncsu
Normal file
3535
data/basis/aug-cc-pv5z_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
1777
data/basis/aug-cc-pvdz_ecp_ncsu
Normal file
1777
data/basis/aug-cc-pvdz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
2910
data/basis/aug-cc-pvqz_ecp_ncsu
Normal file
2910
data/basis/aug-cc-pvqz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
2325
data/basis/aug-cc-pvtz_ecp_ncsu
Normal file
2325
data/basis/aug-cc-pvtz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
3512
data/basis/cc-pv5z_ecp_ncsu
Normal file
3512
data/basis/cc-pv5z_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
1772
data/basis/cc-pvdz_ecp_ncsu
Normal file
1772
data/basis/cc-pvdz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
2888
data/basis/cc-pvqz_ecp_ncsu
Normal file
2888
data/basis/cc-pvqz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
2308
data/basis/cc-pvtz_ecp_ncsu
Normal file
2308
data/basis/cc-pvtz_ecp_ncsu
Normal file
File diff suppressed because it is too large
Load Diff
Loading…
Reference in New Issue
Block a user