10
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
QuAcK/input/int

15 lines
438 B
Plaintext
Raw Permalink Normal View History

2019-03-13 10:43:13 +01:00
# Debuggin mode?
F
# Chemist notation for two-electron integral?
2020-07-08 10:55:03 +02:00
T
2019-03-13 11:34:51 +01:00
# Exposant of the Slater geminal
2020-07-08 10:55:03 +02:00
1.0
2019-03-13 10:43:13 +01:00
# One-electron integrals: Ov Kin Nuc
2019-03-13 16:15:53 +01:00
T T T
2019-03-13 10:43:13 +01:00
# Two-electron integrals: ERI F12 Yuk Erf
2020-07-08 10:55:03 +02:00
T F F F
2019-03-13 10:43:13 +01:00
# Three-electron integrals: Type1 Type2 Type3
2019-03-15 09:58:53 +01:00
F F F
2019-03-13 10:43:13 +01:00
# Four-electron integrals: Type1 Type2 Type3
F F F