From 5792883a6a5cc2f435d1c0279903eead28a2dbc2 Mon Sep 17 00:00:00 2001
From: kossoski <fabris.kossoski@irsamc.ups-tlse.fr>
Date: Fri, 25 Feb 2022 19:51:36 +0100
Subject: [PATCH] saving work

---
 HF_cc-pvtz/D.dat            |  10 ----------
 HF_cc-pvtz/D0.dat           |   9 ---------
 HF_cc-pvtz/a.dat            |  10 ----------
 HF_cc-pvtz/a0.dat           |   9 ---------
 HF_cc-pvtz/aD.dat           |   9 ---------
 HF_cc-pvtz/aD_FCI.dat       |   0
 HF_cc-pvtz/det.dat          |  16 ----------------
 HF_cc-pvtz/det_CI.dat       |   5 -----
 HF_cc-pvtz/det_CIo.dat      |   8 --------
 HF_cc-pvtz/det_CIs.dat      |   4 ----
 HF_cc-pvtz/det_FCI.dat      |   1 -
 HF_cc-pvtz/det_aD.dat       |  10 ----------
 HF_cc-pvtz/det_aD_CI.dat    |   4 ----
 HF_cc-pvtz/det_aD_CIo.dat   |   5 -----
 HF_cc-pvtz/det_aD_CIs.dat   |   2 --
 HF_cc-pvtz/det_aD_FCI.dat   |   0
 HF_cc-pvtz/det_aD_ooCI.dat  |   1 -
 HF_cc-pvtz/det_aD_ooCIo.dat |   1 -
 HF_cc-pvtz/det_aD_ooCIs.dat |   0
 HF_cc-pvtz/det_xe.dat       |  10 ----------
 HF_cc-pvtz/det_xe_CI.dat    |   4 ----
 HF_cc-pvtz/det_xe_CIo.dat   |   5 -----
 HF_cc-pvtz/det_xe_CIs.dat   |   2 --
 HF_cc-pvtz/det_xe_FCI.dat   |   0
 HF_cc-pvtz/det_xe_ooCI.dat  |   1 -
 HF_cc-pvtz/det_xe_ooCIo.dat |   1 -
 HF_cc-pvtz/det_xe_ooCIs.dat |   0
 HF_cc-pvtz/table.dat        |   9 ---------
 HF_cc-pvtz/xe.dat           |  10 ----------
 HF_cc-pvtz/xe0.dat          |   9 ---------
 Manuscript/table_CIo.pdf    | Bin 14541 -> 0 bytes
 31 files changed, 155 deletions(-)
 delete mode 100644 HF_cc-pvtz/D.dat
 delete mode 100644 HF_cc-pvtz/D0.dat
 delete mode 100644 HF_cc-pvtz/a.dat
 delete mode 100644 HF_cc-pvtz/a0.dat
 delete mode 100644 HF_cc-pvtz/aD.dat
 delete mode 100644 HF_cc-pvtz/aD_FCI.dat
 delete mode 100644 HF_cc-pvtz/det.dat
 delete mode 100644 HF_cc-pvtz/det_CI.dat
 delete mode 100644 HF_cc-pvtz/det_CIo.dat
 delete mode 100644 HF_cc-pvtz/det_CIs.dat
 delete mode 100644 HF_cc-pvtz/det_FCI.dat
 delete mode 100644 HF_cc-pvtz/det_aD.dat
 delete mode 100644 HF_cc-pvtz/det_aD_CI.dat
 delete mode 100644 HF_cc-pvtz/det_aD_CIo.dat
 delete mode 100644 HF_cc-pvtz/det_aD_CIs.dat
 delete mode 100644 HF_cc-pvtz/det_aD_FCI.dat
 delete mode 100644 HF_cc-pvtz/det_aD_ooCI.dat
 delete mode 100644 HF_cc-pvtz/det_aD_ooCIo.dat
 delete mode 100644 HF_cc-pvtz/det_aD_ooCIs.dat
 delete mode 100644 HF_cc-pvtz/det_xe.dat
 delete mode 100644 HF_cc-pvtz/det_xe_CI.dat
 delete mode 100644 HF_cc-pvtz/det_xe_CIo.dat
 delete mode 100644 HF_cc-pvtz/det_xe_CIs.dat
 delete mode 100644 HF_cc-pvtz/det_xe_FCI.dat
 delete mode 100644 HF_cc-pvtz/det_xe_ooCI.dat
 delete mode 100644 HF_cc-pvtz/det_xe_ooCIo.dat
 delete mode 100644 HF_cc-pvtz/det_xe_ooCIs.dat
 delete mode 100644 HF_cc-pvtz/table.dat
 delete mode 100644 HF_cc-pvtz/xe.dat
 delete mode 100644 HF_cc-pvtz/xe0.dat
 delete mode 100644 Manuscript/table_CIo.pdf

diff --git a/HF_cc-pvtz/D.dat b/HF_cc-pvtz/D.dat
deleted file mode 100644
index 52b8647..0000000
--- a/HF_cc-pvtz/D.dat
+++ /dev/null
@@ -1,10 +0,0 @@
-RHF                    0.245499     
-hfCIS                  0.245499     
-hfCISD                 0.21357      
-hfCISDT                0.209258     
-hfCIs0                 0.193594     
-hfCIs2                 0.24977      
-hfCIo1                 0.193548     
-hfCIo1.5               0.255514     
-hfCIo2                 0.211413     
-hfCIo2.5               0.206641     
diff --git a/HF_cc-pvtz/D0.dat b/HF_cc-pvtz/D0.dat
deleted file mode 100644
index 3bc76c3..0000000
--- a/HF_cc-pvtz/D0.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-D1               0.245499     
-D2               0.21357      
-D3               0.209258     
-D5               0.193594     
-D6               0.24977      
-D8               0.193548     
-D9               0.255514     
-D10              0.211413     
-D11              0.206641     
diff --git a/HF_cc-pvtz/a.dat b/HF_cc-pvtz/a.dat
deleted file mode 100644
index 5bba4c5..0000000
--- a/HF_cc-pvtz/a.dat
+++ /dev/null
@@ -1,10 +0,0 @@
-RHF                    2.30855      
-hfCIS                  2.30855      
-hfCISD                 2.35824      
-hfCISDT                2.3674       
-hfCIs0                 2.56818      
-hfCIs2                 2.1075       
-hfCIo1                 2.56776      
-hfCIo1.5               2.09451      
-hfCIo2                 2.36505      
-hfCIo2.5               2.37654      
diff --git a/HF_cc-pvtz/a0.dat b/HF_cc-pvtz/a0.dat
deleted file mode 100644
index b9f7849..0000000
--- a/HF_cc-pvtz/a0.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-a1               2.30855      
-a2               2.35824      
-a3               2.3674       
-a5               2.56818      
-a6               2.1075       
-a8               2.56776      
-a9               2.09451      
-a10              2.36505      
-a11              2.37654      
diff --git a/HF_cc-pvtz/aD.dat b/HF_cc-pvtz/aD.dat
deleted file mode 100644
index 6174621..0000000
--- a/HF_cc-pvtz/aD.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-RHF                    2.30855      	RHF                    0.245499     
-hfCISD                 2.35824      	hfCISD                 0.21357      
-hfCISDT                2.3674       	hfCISDT                0.209258     
-hfCIs0                 2.56818      	hfCIs0                 0.193594     
-hfCIs2                 2.1075       	hfCIs2                 0.24977      
-hfCIo1                 2.56776      	hfCIo1                 0.193548     
-hfCIo1.5               2.09451      	hfCIo1.5               0.255514     
-hfCIo2                 2.36505      	hfCIo2                 0.211413     
-hfCIo2.5               2.37654      	hfCIo2.5               0.206641     
diff --git a/HF_cc-pvtz/aD_FCI.dat b/HF_cc-pvtz/aD_FCI.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/HF_cc-pvtz/det.dat b/HF_cc-pvtz/det.dat
deleted file mode 100644
index 64066df..0000000
--- a/HF_cc-pvtz/det.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-FCI         15230028100
-RHF                   1
-CIS                 313
-CISD              33541
-CISDT           1493805
-CISDTQ         12542115
-CIs0             123410
-CIs2           19375370
-CIs4          568056230
-CIo1                469
-CIo1.5             6865
-CIo2              73555
-CIo2.5          1113919
-CIo3            7479109
-CIo3.5         56171701
-CIo4          304194656
diff --git a/HF_cc-pvtz/det_CI.dat b/HF_cc-pvtz/det_CI.dat
deleted file mode 100644
index 2fd0cd5..0000000
--- a/HF_cc-pvtz/det_CI.dat
+++ /dev/null
@@ -1,5 +0,0 @@
-0                  1
-1                313
-2              33541
-3            1493805
-4           12542115
diff --git a/HF_cc-pvtz/det_CIo.dat b/HF_cc-pvtz/det_CIo.dat
deleted file mode 100644
index 7d34f73..0000000
--- a/HF_cc-pvtz/det_CIo.dat
+++ /dev/null
@@ -1,8 +0,0 @@
-0                  1
-1                469
-1.5             6865
-2              73555
-2.5          1113919
-3            7479109
-3.5         56171701
-4          304194656
diff --git a/HF_cc-pvtz/det_CIs.dat b/HF_cc-pvtz/det_CIs.dat
deleted file mode 100644
index 7df59d2..0000000
--- a/HF_cc-pvtz/det_CIs.dat
+++ /dev/null
@@ -1,4 +0,0 @@
-0             123410
-2           19375370
-4          568056230
-6         5079432190
diff --git a/HF_cc-pvtz/det_FCI.dat b/HF_cc-pvtz/det_FCI.dat
deleted file mode 100644
index 7312b2b..0000000
--- a/HF_cc-pvtz/det_FCI.dat
+++ /dev/null
@@ -1 +0,0 @@
-0        15230028100
diff --git a/HF_cc-pvtz/det_aD.dat b/HF_cc-pvtz/det_aD.dat
deleted file mode 100644
index e746eb4..0000000
--- a/HF_cc-pvtz/det_aD.dat
+++ /dev/null
@@ -1,10 +0,0 @@
-                1	RHF                    2.30855      	RHF                    0.245499     
-              313	hfCIS                  2.30855      	hfCIS                  0.245499     
-            33541	hfCISD                 2.35824      	hfCISD                 0.21357      
-          1493805	hfCISDT                2.3674       	hfCISDT                0.209258     
-           123410	hfCIs0                 2.56818      	hfCIs0                 0.193594     
-         19375370	hfCIs2                 2.1075       	hfCIs2                 0.24977      
-              469	hfCIo1                 2.56776      	hfCIo1                 0.193548     
-             6865	hfCIo1.5               2.09451      	hfCIo1.5               0.255514     
-            73555	hfCIo2                 2.36505      	hfCIo2                 0.211413     
-          1113919	hfCIo2.5               2.37654      	hfCIo2.5               0.206641     
diff --git a/HF_cc-pvtz/det_aD_CI.dat b/HF_cc-pvtz/det_aD_CI.dat
deleted file mode 100644
index 928cb30..0000000
--- a/HF_cc-pvtz/det_aD_CI.dat
+++ /dev/null
@@ -1,4 +0,0 @@
-                1	0                     2.30855      	0                     0.245499     
-              313	1                  2.30855      	1                  0.245499     
-            33541	2                 2.35824      	2                 0.21357      
-          1493805	3                2.3674       	3                0.209258     
diff --git a/HF_cc-pvtz/det_aD_CIo.dat b/HF_cc-pvtz/det_aD_CIo.dat
deleted file mode 100644
index 17ba055..0000000
--- a/HF_cc-pvtz/det_aD_CIo.dat
+++ /dev/null
@@ -1,5 +0,0 @@
-                1	0                     2.30855      	0                     0.245499     
-              469	1                  2.56776      	1                  0.193548     
-             6865	1.5                2.09451      	1.5                0.255514     
-            73555	2                  2.36505      	2                  0.211413     
-          1113919	2.5                2.37654      	2.5                0.206641     
diff --git a/HF_cc-pvtz/det_aD_CIs.dat b/HF_cc-pvtz/det_aD_CIs.dat
deleted file mode 100644
index a1a03be..0000000
--- a/HF_cc-pvtz/det_aD_CIs.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-           123410	0                  2.56818      	0                  0.193594     
-         19375370	2                  2.1075       	2                  0.24977      
diff --git a/HF_cc-pvtz/det_aD_FCI.dat b/HF_cc-pvtz/det_aD_FCI.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/HF_cc-pvtz/det_aD_ooCI.dat b/HF_cc-pvtz/det_aD_ooCI.dat
deleted file mode 100644
index 76ef7b4..0000000
--- a/HF_cc-pvtz/det_aD_ooCI.dat
+++ /dev/null
@@ -1 +0,0 @@
-                1	0                     2.30855      	0                     0.245499     
diff --git a/HF_cc-pvtz/det_aD_ooCIo.dat b/HF_cc-pvtz/det_aD_ooCIo.dat
deleted file mode 100644
index 76ef7b4..0000000
--- a/HF_cc-pvtz/det_aD_ooCIo.dat
+++ /dev/null
@@ -1 +0,0 @@
-                1	0                     2.30855      	0                     0.245499     
diff --git a/HF_cc-pvtz/det_aD_ooCIs.dat b/HF_cc-pvtz/det_aD_ooCIs.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/HF_cc-pvtz/det_xe.dat b/HF_cc-pvtz/det_xe.dat
deleted file mode 100644
index d8457e8..0000000
--- a/HF_cc-pvtz/det_xe.dat
+++ /dev/null
@@ -1,10 +0,0 @@
-                1	RHF                   0.898387     	RHF                    0.245499     
-              313	hfCIS                 0.898387     	hfCIS                  0.245499     
-            33541	hfCISD                0.912489     	hfCISD                 0.21357      
-          1493805	hfCISDT               0.914053     	hfCISDT                0.209258     
-           123410	hfCIs0                0.9021       	hfCIs0                 0.193594     
-         19375370	hfCIs2                0.916055     	hfCIs2                 0.24977      
-              469	hfCIo1                0.902105     	hfCIo1                 0.193548     
-             6865	hfCIo1.5              0.915066     	hfCIo1.5               0.255514     
-            73555	hfCIo2                0.912931     	hfCIo2                 0.211413     
-          1113919	hfCIo2.5              0.914352     	hfCIo2.5               0.206641     
diff --git a/HF_cc-pvtz/det_xe_CI.dat b/HF_cc-pvtz/det_xe_CI.dat
deleted file mode 100644
index ab93185..0000000
--- a/HF_cc-pvtz/det_xe_CI.dat
+++ /dev/null
@@ -1,4 +0,0 @@
-                1	0                    0.898387     	0                     0.245499     
-              313	1                 0.898387     	1                  0.245499     
-            33541	2                0.912489     	2                 0.21357      
-          1493805	3               0.914053     	3                0.209258     
diff --git a/HF_cc-pvtz/det_xe_CIo.dat b/HF_cc-pvtz/det_xe_CIo.dat
deleted file mode 100644
index 1ff9047..0000000
--- a/HF_cc-pvtz/det_xe_CIo.dat
+++ /dev/null
@@ -1,5 +0,0 @@
-                1	0                    0.898387     	0                     0.245499     
-              469	1                 0.902105     	1                  0.193548     
-             6865	1.5               0.915066     	1.5                0.255514     
-            73555	2                 0.912931     	2                  0.211413     
-          1113919	2.5               0.914352     	2.5                0.206641     
diff --git a/HF_cc-pvtz/det_xe_CIs.dat b/HF_cc-pvtz/det_xe_CIs.dat
deleted file mode 100644
index c0e2283..0000000
--- a/HF_cc-pvtz/det_xe_CIs.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-           123410	0                 0.9021       	0                  0.193594     
-         19375370	2                 0.916055     	2                  0.24977      
diff --git a/HF_cc-pvtz/det_xe_FCI.dat b/HF_cc-pvtz/det_xe_FCI.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/HF_cc-pvtz/det_xe_ooCI.dat b/HF_cc-pvtz/det_xe_ooCI.dat
deleted file mode 100644
index 1ac637c..0000000
--- a/HF_cc-pvtz/det_xe_ooCI.dat
+++ /dev/null
@@ -1 +0,0 @@
-                1	0                    0.898387     	0                     0.245499     
diff --git a/HF_cc-pvtz/det_xe_ooCIo.dat b/HF_cc-pvtz/det_xe_ooCIo.dat
deleted file mode 100644
index 1ac637c..0000000
--- a/HF_cc-pvtz/det_xe_ooCIo.dat
+++ /dev/null
@@ -1 +0,0 @@
-                1	0                    0.898387     	0                     0.245499     
diff --git a/HF_cc-pvtz/det_xe_ooCIs.dat b/HF_cc-pvtz/det_xe_ooCIs.dat
deleted file mode 100644
index e69de29..0000000
diff --git a/HF_cc-pvtz/table.dat b/HF_cc-pvtz/table.dat
deleted file mode 100644
index e010892..0000000
--- a/HF_cc-pvtz/table.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-               1
-               0             312
-             156            6396           26676
-               0           35568          693576          731120
-            4446          346788         4939506        20288580         5757570
-               0          658008        24346296       164502000
-           36556         4057716        75012912
-               0         2632032
-          118441
diff --git a/HF_cc-pvtz/xe.dat b/HF_cc-pvtz/xe.dat
deleted file mode 100644
index 001f99a..0000000
--- a/HF_cc-pvtz/xe.dat
+++ /dev/null
@@ -1,10 +0,0 @@
-RHF                   0.898387     
-hfCIS                 0.898387     
-hfCISD                0.912489     
-hfCISDT               0.914053     
-hfCIs0                0.9021       
-hfCIs2                0.916055     
-hfCIo1                0.902105     
-hfCIo1.5              0.915066     
-hfCIo2                0.912931     
-hfCIo2.5              0.914352     
diff --git a/HF_cc-pvtz/xe0.dat b/HF_cc-pvtz/xe0.dat
deleted file mode 100644
index e777698..0000000
--- a/HF_cc-pvtz/xe0.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-xe1              0.898387     
-xe2              0.912489     
-xe3              0.914053     
-xe5              0.9021       
-xe6              0.916055     
-xe8              0.902105     
-xe9              0.915066     
-xe10             0.912931     
-xe11             0.914352     
diff --git a/Manuscript/table_CIo.pdf b/Manuscript/table_CIo.pdf
deleted file mode 100644
index 8abd857f33077dda869bd5026f035c5d7a24ca57..0000000000000000000000000000000000000000
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