From fb820d3142996fc7088b19652478f0b779267001 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 8 May 2019 09:15:46 +0200 Subject: [PATCH] add directories --- int/.gitignore | 1 + int/boxints.txt | 56513 ++++++++++++++++++++++++++++++++++++++++++++++ plot/.gitignore | 1 + 3 files changed, 56515 insertions(+) create mode 100644 int/.gitignore create mode 100644 int/boxints.txt create mode 100644 plot/.gitignore diff --git a/int/.gitignore b/int/.gitignore new file mode 100644 index 0000000..773a6df --- /dev/null +++ b/int/.gitignore @@ -0,0 +1 @@ +*.dat diff --git a/int/boxints.txt b/int/boxints.txt new file mode 100644 index 0000000..b4e8600 --- /dev/null +++ b/int/boxints.txt @@ -0,0 +1,56513 @@ +&FCI NORB = 30, NELEC = 7, MS2 = 7, ISYM = 1, NROOT = 1, MAXIT = 200, + ORBSYM = 1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2,1,2, + MEMORY = 300000000 / +0.4473211247724916 1 1 1 1 +-0.40635977105343735 2 1 2 1 +0.6259919502912837 2 2 1 1 +0.12977728134069944 2 2 2 2 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diff --git a/plot/.gitignore b/plot/.gitignore new file mode 100644 index 0000000..773a6df --- /dev/null +++ b/plot/.gitignore @@ -0,0 +1 @@ +*.dat