Adding output files for N, N+ and N2+ calculations

N/summary.txt

@@ -118,6 +118,11 @@ CCSD         -54.525821058985
 CCSD(T)      -54.528932414345
 CCSDT        -54.529230235617
 
+aV6Z-FELLER
+CCSD         -54.525821074949
+CCSD(T)      -54.528932430365
+CCSDT        -54.529230251633
+
 aCVDZ-EMSL
 CCSD         -54.524563965688
 CCSD(T)      -54.525994669015

N2+/NR/AE/CFOUR-CFOUR/analysis.sh

@@ -0,0 +1,16 @@
+#!/bin/bash
+
+for ccsd_t_file in *_CCSDpT.txt
+do
+	rohf_energy=$(grep "E(ROHF)=" $ccsd_t_file | awk '{print $2}')
+	ccsd_energy=$(grep "E(CCSD)" $ccsd_t_file | awk '{print $3}')
+	ccsd_t_energy=$(grep "E(CCSD(T))" $ccsd_t_file | awk '{print $3}')
+	echo "$ccsd_t_file $rohf_energy $ccsd_energy $ccsd_t_energy"
+done
+
+for ccsdt_file in *_CCSDT.txt
+do
+	rohf_energy=$(grep "E(ROHF)=" $ccsdt_file | awk '{print $2}')
+	ccsdt_energy=$(grep "total energy" $ccsdt_file | awk '{print $5}')
+	echo "$ccsdt_file $rohf_energy $ccsdt_energy"
+done

N2+/NR/FC/CFOUR-CFOUR/analysis.sh

@@ -0,0 +1,16 @@
+#!/bin/bash
+
+for ccsd_t_file in *_CCSDpT.txt
+do
+	rohf_energy=$(grep "E(ROHF)=" $ccsd_t_file | awk '{print $2}')
+	ccsd_energy=$(grep "E(CCSD)" $ccsd_t_file | awk '{print $3}')
+	ccsd_t_energy=$(grep "E(CCSD(T))" $ccsd_t_file | awk '{print $3}')
+	echo "$ccsd_t_file $rohf_energy $ccsd_energy $ccsd_t_energy"
+done
+
+for ccsdt_file in *_CCSDT.txt
+do
+	rohf_energy=$(grep "E(ROHF)=" $ccsdt_file | awk '{print $2}')
+	ccsdt_energy=$(grep "total energy" $ccsdt_file | awk '{print $5}')
+	echo "$ccsdt_file $rohf_energy $ccsdt_energy"
+done

N2+/summary.txt

@@ -0,0 +1,54 @@
+aVDZ-EMSL
+CCSD         -52.881847611733 
+CCSD(T)      -52.882464655818
+CCSDT        -52.882643890240
+
+aVTZ-EMSL 
+CCSD         -52.900725381395 
+CCSD(T)      -52.901844310387
+CCSDT        -52.902084592427
+
+aVQZ-EMSL
+CCSD         -52.906410350768 
+CCSD(T)      -52.907654885131
+CCSDT        -52.907879652031
+
+aV5Z-EMSL 
+CCSD         -52.908007213214 
+CCSD(T)      -52.909297853956
+CCSDT        -52.909511087341
+
+aV6Z-EMSL 
+CCSD         -52.908484147944 
+CCSD(T)      -52.909790300699
+CCSDT        -52.909997621225
+
+aV6Z-FELLER
+CCSD         -52.908484175882 
+CCSD(T)      -52.909790328613
+CCSDT        -52.909997649131
+
+aCVDZ-EMSL
+CCSD         -52.921941090521 
+CCSD(T)      -52.922772095133
+CCSDT        -52.922953150765
+
+aCVTZ-EMSL
+CCSD         -52.950555530173 
+CCSD(T)      -52.952144181501
+CCSDT        -52.952395591251
+
+aCVQZ-EMSL
+CCSD         -52.959637148439 
+CCSD(T)      -52.961402043243
+CCSDT        -52.961638932365
+
+aCV5Z-EMSL
+CCSD         -52.962131986421 
+CCSD(T)      -52.963955814775
+CCSDT        -52.964181546684
+
+aCV6Z-EMOLP
+CCSD         -52.963002078381 
+CCSD(T)      -52.964845665528
+CCSDT        -52.965065570358