included sCI labels
This commit is contained in:
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6d6222fc5f
commit
99db2784c3
@ -72,16 +72,20 @@ f(x) = a*x+b
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fit [2.0:2.5] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 2.5,-2.00 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [5.5:6.4] [*:*] f(x) 'pes_s0.dat' u 1:($2) via a,b
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set label 31 'sCI0' at 5.5,-1.750 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [5.0:6.0] [*:*] f(x) 'pes_s2.dat' u 1:($2) via a,b
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set label 32 'sCI2' at 5.5,-1.838 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [4.7:5.5] [*:*] f(x) 'pes_CISD.dat' u 1:($2) via a,b
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set label 2 'CISD' at 5.2,-1.958 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [5.2:5.8] [*:*] f(x) 'pes_CISDT.dat' u 1:($2) via a,b
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set label 3 'CISDT' at 5.5,-1.982 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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set label 3 'CISDT' at 5.65,-1.980 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [7.5:8.5] [*:*] f(x) 'pes_CIo1.dat' u 1:($2) via a,b
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set label 11 'hCI1' at 8.5,-1.734 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.5:8.5] [*:*] f(x) 'pes_CIo2.dat' u 1:($2) via a,b
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set label 12 'hCI2' at 8.5,-1.979 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 12 'hCI2' at 8.5,-1.964 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [6.0:6.5] [*:*] f(x) 'pes_CIo3.dat' u 1:($2) via a,b
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set label 13 'hCI3' at 6.5,-2.01 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 13 'hCI3' at 6.3,-2.01 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.5:8.5] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 8.5,-2.01 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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@ -106,10 +110,10 @@ a=0; b=0
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fit [2.0:2.5] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 2.5,-2.00 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [5.0:5.5] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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fit [5.1:5.6] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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set label 10 'oo-CIS' at 5.2,-1.826 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [5.0:5.5] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
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set label 2 'oo-CISD' at 5.2,-1.990 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [5.8:6.5] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
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set label 2 'oo-CISD' at 5.2,-1.989 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [8.0:8.5] [*:*] f(x) 'pes_ooCIo1.dat' u 1:($2) via a,b
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set label 12 'oo-hCI1' at 8.5,-1.987 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.5:8.5] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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@ -67,20 +67,26 @@ f(x) = a*x+b
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fit [3.0:4.0] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 3.0,-3.810 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_s0.dat' u 1:($2) via a,b
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set label 31 'sCI0' at 7.1,-3.310 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_s2.dat' u 1:($2) via a,b
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set label 32 'sCI2' at 7.1,-3.465 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_s4.dat' u 1:($2) via a,b
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set label 33 'sCI4' at 7.1,-3.866 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_CISD.dat' u 1:($2) via a,b
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set label 2 'CISD' at 7.1,-3.560 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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set label 2 'CISD' at 7.1,-3.557 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_CISDT.dat' u 1:($2) via a,b
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set label 3 'CISDT' at 7.1,-3.724 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [6.0:7.5] [*:*] f(x) 'pes_CISDTQ.dat' u 1:($2) via a,b
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set label 4 'CISDTQ' at 6.0,-3.970 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_CIo1.dat' u 1:($2) via a,b
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set label 11 'hCI1' at 8.5,-3.150 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_CIo2.dat' u 1:($2) via a,b
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set label 12 'hCI2' at 8.5,-3.610 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_CIo3.dat' u 1:($2) via a,b
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set label 13 'hCI3' at 8.5,-3.866 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 8.5,-4.03 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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fit [8.0:9.0] [*:*] f(x) 'pes_CIo1.dat' u 1:($2) via a,b
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set label 11 'hCI1' at 9.0,-3.136 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [8.0:9.0] [*:*] f(x) 'pes_CIo2.dat' u 1:($2) via a,b
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set label 12 'hCI2' at 9.0,-3.598 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [8.0:9.0] [*:*] f(x) 'pes_CIo3.dat' u 1:($2) via a,b
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set label 13 'hCI3' at 9.0,-3.867 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [8.0:9.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 9.0,-4.03 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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plot 'pes_rhf.dat' w l ls 1 notitle, \
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'pes_CISD.dat' w l ls 3 notitle, \
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@ -104,8 +110,10 @@ set format y ""
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fit [3.0:4.0] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 3.0,-3.810 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [5.5:6.5] [*:*] f(x) 'pes_ooCIs0.dat' u 1:($2) via a,b
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set label 31 'oo-sCI0' at 5.6,-3.968 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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set label 10 'oo-CIS' at 7.1,-3.340 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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set label 10 'oo-CIS' at 7.1,-3.337 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [6.5:7.5] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
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set label 2 'oo-CISD' at 7.1,-3.560 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_ooCIo1.dat' u 1:($2) via a,b
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@ -113,7 +121,7 @@ set label 11 'oo-hCI1' at 8.5,-3.580 rotate by r(a) center tc ls 4 #font 'Verdan
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fit [7.0:9.0] [*:*] f(x) 'pes_ooCIo2.dat' u 1:($2) via a,b
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set label 12 'oo-hCI2' at 8.5,-3.695 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [7.0:9.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 8.5,-4.03 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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set label 20 'FCI' at 8.9,-4.03 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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plot 'pes_rhf.dat' w l ls 1 notitle, \
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'pes_ooCIS.dat' w l ls 3 notitle, \
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@ -70,6 +70,12 @@ f(x) = a*x+b
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fit [1.0:1.5] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 1.2,-99.90 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [3.0:4.0] [*:*] f(x) 'pes_s0.dat' u 1:($2) via a,b
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set label 31 'sCI0' at 3.5,-99.832 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [3.0:4.0] [*:*] f(x) 'pes_s2.dat' u 1:($2) via a,b
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set label 32 'sCI2' at 3.5,-99.912 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [3.0:4.0] [*:*] f(x) 'pes_s4.dat' u 1:($2) via a,b
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set label 33 'sCI4' at 3.5,-100.011 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [4.0:6.0] [*:*] f(x) 'pes_CISD.dat' u 1:($2) via a,b
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set label 2 'CISD' at 5.0,-99.941 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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#fit [2.5:3.5] [*:*] f(x) 'pes_CISDT.dat' u 1:($2) via a,b
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@ -83,7 +89,7 @@ set label 11 'hCI1' at 5.0,-99.868 rotate by r(a) center tc ls 4 #font 'Verdana
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fit [4.0:6.0] [*:*] f(x) 'pes_CIo2.dat' u 1:($2) via a,b
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set label 12 'hCI2' at 5.0,-99.963 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [4.0:6.0] [*:*] f(x) 'pes_CIo3.dat' u 1:($2) via a,b
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set label 13 'hCI3' at 5.0,-100.017 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 13 'hCI3' at 5.0,-100.011 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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#fit [7.0:9.0] [*:*] f(x) 'pes_CIo4.dat' u 1:($2) via a,b
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#set label 14 'hCI4' at 5.0,-100.040 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [4.0:6.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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@ -110,6 +116,8 @@ a=0; b=0
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fit [1.0:1.5] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 1.2,-99.90 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [3.0:5.0] [*:*] f(x) 'pes_ooCIs0.dat' u 1:($2) via a,b
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set label 31 'oo-sCI0' at 3.5,-99.912 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [4.0:6.0] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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set label 10 'oo-CIS' at 5.0,-99.863 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [4.0:6.0] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
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@ -70,6 +70,12 @@ f(x) = a*x+b
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fit [1.7:1.8] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 1.70,-108.42 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [1.8:2.6] [*:*] f(x) 'pes_s0.dat' u 1:($2) via a,b
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set label 31 'sCI0' at 2.15,-108.658 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [3.0:3.7] [*:*] f(x) 'pes_s2.dat' u 1:($2) via a,b
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set label 32 'sCI2' at 3.65,-108.715 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [2.9:3.1] [*:*] f(x) 'pes_s4.dat' u 1:($2) via a,b
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set label 33 'sCI4' at 3.65,-108.878 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [2.9:3.1] [*:*] f(x) 'pes_CISD.dat' u 1:($2) via a,b
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set label 2 'CISD' at 3.1,-108.524 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [2.9:3.1] [*:*] f(x) 'pes_CISDT.dat' u 1:($2) via a,b
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@ -79,13 +85,13 @@ set label 4 'CISDTQ' at 2.6,-108.856 rotate by r(a) center tc ls 3 #font 'Verdan
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fit [3.6:3.8] [*:*] f(x) 'pes_CIo1.dat' u 1:($2) via a,b
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set label 11 'hCI1' at 3.6,-108.326 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.6:3.8] [*:*] f(x) 'pes_CIo2.dat' u 1:($2) via a,b
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set label 12 'hCI2' at 3.6,-108.630 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 12 'hCI2' at 3.65,-108.626 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.6:3.8] [*:*] f(x) 'pes_CIo3.dat' u 1:($2) via a,b
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set label 13 'hCI3' at 3.6,-108.834 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 13 'hCI3' at 3.65,-108.836 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.0:4.0] [*:*] f(x) 'pes_CIo4.dat' u 1:($2) via a,b
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set label 14 'hCI4' at 3.6,-108.921 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 14 'hCI4' at 3.65,-108.923 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.0:4.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 3.7,-108.980 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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set label 20 'FCI' at 3.65,-108.980 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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plot 'pes_rhf.dat' w l ls 1 notitle, \
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'pes_CISD.dat' w l ls 3 notitle, \
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@ -111,16 +117,18 @@ a=0; b=0
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fit [1.7:1.8] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 1.70,-108.42 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [3.3:4.0] [*:*] f(x) 'pes_ooCIs0.dat' u 1:($2) via a,b
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set label 31 'oo-sCI0' at 3.45,-108.710 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [2.9:3.1] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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set label 10 'oo-CIS' at 3.0,-108.481 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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set label 10 'oo-CIS' at 3.0,-108.483 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [2.9:3.1] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
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set label 2 'oo-CISD' at 3.0,-108.622 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [3.3:3.5] [*:*] f(x) 'pes_ooCIo1.dat' u 1:($2) via a,b
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set label 2 'oo-CISD' at 3.0,-108.623 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [3.0:3.5] [*:*] f(x) 'pes_ooCIo1.dat' u 1:($2) via a,b
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set label 11 'oo-hCI1' at 3.3,-108.533 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.3:3.5] [*:*] f(x) 'pes_ooCIo2.dat' u 1:($2) via a,b
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set label 12 'oo-hCI2' at 3.3,-108.655 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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set label 12 'oo-hCI2' at 3.3,-108.657 rotate by r(a) center tc ls 4 #font 'Verdana,20'
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fit [3.3:4.0] [*:*] f(x) 'pes_fci.dat' u 1:($2) via a,b
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set label 20 'FCI' at 3.7,-108.980 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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set label 20 'FCI' at 3.65,-108.980 rotate by r(a) center tc ls 2 #font 'Verdana,20'
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plot 'pes_rhf.dat' w l ls 1 notitle, \
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'pes_ooCIS.dat' w l ls 3 notitle, \
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@ -67,6 +67,12 @@ f(x) = a*x+b
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fit [3.0:3.6] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 3.6,-77.75 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [6.0:8.0] [*:*] f(x) 'pes_s0.dat' u 1:($2) via a,b
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set label 31 'sCI0' at 7.0,-77.773 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [6.0:8.0] [*:*] f(x) 'pes_s2.dat' u 1:($2) via a,b
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set label 32 'sCI2' at 7.0,-77.807 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [7.2:9.2] [*:*] f(x) 'pes_s4.dat' u 1:($2) via a,b
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set label 33 'sCI4' at 8.2,-78.021 rotate by r(a) center tc ls 8 #font 'Verdana,20'
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fit [9.5:11.5] [*:*] f(x) 'pes_CISD.dat' u 1:($2) via a,b
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set label 2 'CISD' at 10.5,-77.805 rotate by r(a) center tc ls 3 #font 'Verdana,20'
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fit [8.5:10.5] [*:*] f(x) 'pes_CISDT.dat' u 1:($2) via a,b
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@ -108,10 +114,12 @@ a=0; b=0
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fit [3.0:3.6] [*:*] f(x) 'pes_rhf.dat' u 1:($2) via a,b
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set label 1 'RHF' at 3.6,-77.75 rotate by r(a) center tc ls 1 #font 'Verdana,20'
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fit [8.0:9.5] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
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set label 10 'oo-CIS' at 9.0,-77.763 rotate by r(a) center tc ls 3 #font 'Verdana,20'
|
||||
fit [8.0:9.5] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
|
||||
set label 2 'oo-CISD' at 9.0,-77.978 rotate by r(a) center tc ls 3 #font 'Verdana,20'
|
||||
fit [8.0:10.0] [*:*] f(x) 'pes_ooCIs0.dat' u 1:($2) via a,b
|
||||
set label 31 'oo-sCI0' at 9.5,-77.902 rotate by r(a) center tc ls 8 #font 'Verdana,20'
|
||||
fit [8.0:10.0] [*:*] f(x) 'pes_ooCIS.dat' u 1:($2) via a,b
|
||||
set label 10 'oo-CIS' at 9.5,-77.765 rotate by r(a) center tc ls 3 #font 'Verdana,20'
|
||||
fit [8.0:10.0] [*:*] f(x) 'pes_ooCISD.dat' u 1:($2) via a,b
|
||||
set label 2 'oo-CISD' at 9.5,-77.979 rotate by r(a) center tc ls 3 #font 'Verdana,20'
|
||||
fit [13.0:14.0] [*:*] f(x) 'pes_ooCIo1.dat' u 1:($2) via a,b
|
||||
set label 11 'oo-hCI1' at 13.0,-77.797 rotate by r(a) center tc ls 4 #font 'Verdana,20'
|
||||
fit [13.0:14.0] [*:*] f(x) 'pes_ooCIo2.dat' u 1:($2) via a,b
|
||||
|
Loading…
Reference in New Issue
Block a user