From 7b1b833264460799cf986f17604971de5c4dd9af Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 13 Mar 2019 10:43:13 +0100 Subject: [PATCH] option file for integrals --- input/int | 12 ++++++++++++ 1 file changed, 12 insertions(+) create mode 100644 input/int diff --git a/input/int b/input/int new file mode 100644 index 0000000..ac39e96 --- /dev/null +++ b/input/int @@ -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