LCPQ
/
qp2
mirror of https://github.com/QuantumPackage/qp2.git
9
1
Fork 0
Code Releases Activity

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:
anbenali 2019-05-24 12:18:48 -05:00
parent 1d33bd119b
commit 83a9ce67db
8 changed files with 21027 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3535
data/basis/aug-cc-pv5z_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

1777
data/basis/aug-cc-pvdz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

2910
data/basis/aug-cc-pvqz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

2325
data/basis/aug-cc-pvtz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

3512
data/basis/cc-pv5z_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

1772
data/basis/cc-pvdz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

2888
data/basis/cc-pvqz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff

2308
data/basis/cc-pvtz_ecp_ncsu Normal file
View File

File diff suppressed because it is too large Load Diff