mirror of
https://github.com/pfloos/quack
synced 2024-11-04 21:23:55 +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