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 - 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