mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
option file for integrals
This commit is contained in:
parent
2c5e48aa1a
commit
7b1b833264
12
input/int
Normal file
12
input/int
Normal file
@ -0,0 +1,12 @@
|
||||
# Debuggin mode?
|
||||
F
|
||||
# Chemist notation for two-electron integral?
|
||||
T
|
||||
# One-electron integrals: Ov Kin Nuc
|
||||
T T T
|
||||
# Two-electron integrals: ERI F12 Yuk Erf
|
||||
T F F F
|
||||
# Three-electron integrals: Type1 Type2 Type3
|
||||
F F F
|
||||
# Four-electron integrals: Type1 Type2 Type3
|
||||
F F F
|
Loading…
Reference in New Issue
Block a user