Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenhistogram.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenhistogram.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenhistogram.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,7 @@
+level	energy_eigenhistogram
+1	(-11.70744928,0.001976320932) (-11.20744928,11.99802368) (-10.70744928,0) (-10.20744928,0) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,0) (-2.707449281,0) (-2.207449281,0) (-1.707449281,0.001976320932) (-1.207449281,12.00395264) (-0.7074492809,35.99604736) (-0.2074492809,12.0098816) (0.2925507191,71.99604736) (0.7925507191,47.99407104) (1.292550719,11.99802368) (1.792550719,0) (2.292550719,0) 
+2	(-11.70744928,0.003685861886) (-11.20744928,12.17781742) (-10.70744928,-0.181503283) (-10.20744928,0) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,0) (-2.707449281,0) (-2.207449281,0) (-1.707449281,0.003685861886) (-1.207449281,12.09556905) (-0.7074492809,26.35563484) (-0.2074492809,1.468810822) (0.2925507191,43.27336853) (0.7925507191,57.53262989) (1.292550719,11.45180429) (1.792550719,-0.181503283) (2.292550719,0) (2.792550719,0) 
+3	(-11.70744928,0.007783111291) (-11.20744928,12.36882009) (-10.70744928,-0.3798269216) (-10.20744928,0.003223718125) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,0) (-2.707449281,0) (-2.207449281,0) (-1.707449281,0.007783111291) (-1.207449281,12.29517242) (-0.7074492809,26.55859149) (-0.2074492809,1.249749068) (0.2925507191,51.41679121) (0.7925507191,42.14259129) (1.292550719,10.8575111) (1.792550719,7.468586591) (2.292550719,0.003223718125) (2.792550719,0) (3.292550719,0) 
+4	(-12.20744928,-2.215320106e-05) (-11.70744928,0.002492152413) (-11.20744928,12.13053389) (-10.70744928,-0.1335224721) (-10.20744928,0.0005185817927) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,0) (-2.707449281,0) (-2.207449281,-2.215320106e-05) (-1.707449281,0.002445651259) (-1.207449281,12.04460983) (-0.7074492809,26.42232616) (-0.2074492809,13.19277798) (0.2925507191,33.09329349) (0.7925507191,51.83543782) (1.292550719,13.55406042) (1.792550719,1.854552218) (2.292550719,0.0005185817927) (2.792550719,0) (3.292550719,0) 
+5	(-12.70744928,5.889258752e-08) (-12.20744928,-1.065655204e-05) (-11.70744928,0.003131304404) (-11.20744928,12.13875486) (-10.70744928,-0.1423942722) (-10.20744928,0.0005187075268) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,0) (-2.707449281,5.889258752e-08) (-2.207449281,-1.053293761e-05) (-1.707449281,0.003112041016) (-1.207449281,12.0540051) (-0.7074492809,26.34899351) (-0.2074492809,9.368117523) (0.2925507191,36.9742001) (0.7925507191,47.92390992) (1.292550719,17.49057198) (1.792550719,1.836581586) (2.292550719,0.0005187075268) (2.792550719,0) (3.292550719,0) 
+6	(-13.20744928,-5.428523274e-11) (-12.70744928,5.172117192e-08) (-12.20744928,-9.873433094e-06) (-11.70744928,0.003295841525) (-11.20744928,12.14534752) (-10.70744928,-0.1492264769) (-10.20744928,0.0005929349563) (-9.707449281,0) (-9.207449281,0) (-8.707449281,0) (-8.207449281,0) (-7.707449281,0) (-7.207449281,0) (-6.707449281,0) (-6.207449281,0) (-5.707449281,0) (-5.207449281,0) (-4.707449281,0) (-4.207449281,0) (-3.707449281,0) (-3.207449281,-5.428523274e-11) (-2.707449281,5.160722863e-08) (-2.207449281,-9.76772424e-06) (-1.707449281,0.003278559545) (-1.207449281,12.0610302) (-0.7074492809,26.35938724) (-0.2074492809,9.354924929) (0.2925507191,36.96968553) (0.7925507191,45.95357038) (1.292550719,17.49538642) (1.792550719,3.802153525) (2.292550719,0.0005929349563) (2.792550719,0) (3.292550719,0) 
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenvalues.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenvalues.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Eigenvalues.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,7 @@
+level	energy_eigenvalues
+1	(-11.2076074,1.) (-11.20760739,1.) (-11.20758767,1.) (-11.20746901,1.) (-11.20746901,1.) (-11.20744928,1.) (-0.9459074402,1.) (-0.9458907194,1.) (-0.9458907125,1.) (-0.9457902098,1.) (-0.9457734772,1.) (-0.9457734727,1.) (-0.5431211826,1.) (-0.5431208396,1.) (-0.5431178801,1.) (-0.5431011043,1.) (-0.5431010308,1.) (-0.5430763317,1.) (-0.543075501,1.) (-0.5430568603,1.) (-0.543056591,1.) (-0.543047161,1.) (-0.5430332789,1.) (-0.5430127645,1.) (-0.5429663987,1.) (-0.5429589802,1.) (-0.542923672,1.) (-0.5427864954,1.) (-0.5427861523,1.) (-0.5427831978,1.) (0.2545833937,1.) (0.2545833954,1.) (0.2545920251,1.) (0.2546439724,1.) (0.2546439795,1.) (0.2546526081,1.) (0.3230159456,1.) (0.323017874,1.) (0.3230194114,1.) (0.3231211286,1.) (0.3231368837,1.) (0.3231378392,1.) (0.3231420669,1.) (0.3231560546,1.) (0.3231578523,1.) (0.3231584755,1.) (0.3231683322,1.) (0.3231737335,1.) (0.3231860258,1.) (0.3231885585,1.) (0.3232065571,1.) (0.3232254987,1.) (0.3232274291,1.) (0.323228966,1.) (0.7435482619,1.) (0.7435594093,1.) (0.7435850855,1.) (0.7436180041,1.) (0.7436202304,1.) (0.7436212041,1.) (0.7436247149,1.) (0.7436531036,1.) (0.7436673981,1.) (0.7436767829,1.) (0.7436857108,1.) (0.7437105182,1.) (0.7437792814,1.) (0.7437838592,1.) (0.7437894614,1.) (0.7437904297,1.) (0.7437939429,1.) (0.7438039797,1.) (1.224871298,1.) (1.224872144,1.) (1.224875192,1.) (1.225243994,1.) (1.225295115,1.) (1.225304312,1.) (1.225329315,1.) (1.225381778,1.) (1.225387072,1.) (1.225395313,1.) (1.225423666,1.) (1.225446027,1.) (1.225474901,1.) (1.225502467,1.) (1.225535972,1.) (1.225609964,1.) (1.225610808,1.) (1.22561386,1.) (1.238875286,1.) (1.238875791,1.) (1.238946226,1.) (1.239359041,1.) (1.23935942,1.) (1.239428294,1.) (1.327112576,1.) (1.327112865,1.) (1.327123692,1.) (1.327189231,1.) (1.327189392,1.) (1.327200312,1.) 
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Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Energy.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Energy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Energy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,7 @@
+level	energy_total	energy_nuclear_repulsion	energy_electron_coulomb	energy_electron_exchange	energy_correlation	energy_overlap	energy_kinetic	energy_hcore
+1	-241.082295	80.6087734	195.689159	-39.38677329	0	30	241.2537987	-719.2472529
+2	-235.2606163	158.0468746	270.055141	-36.08957907	0	25	235.691593	-862.9646458
+3	-235.2680429	204.9927313	316.9984475	-36.08570306	0	25	235.702482	-956.8760007
+4	-235.2665144	228.711342	340.7594654	-36.0885165	0	25	235.7117985	-1004.360604
+5	-235.266338	241.371981	353.4305227	-36.0888774	0	25	235.7136882	-1029.693652
+6	-235.2663343	246.4308225	358.49334	-36.08884479	0	25	235.713895	-1039.815547
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Forces.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Forces.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Forces.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,7 @@
+level	forces
+1	(0,( -7.320479286e-05; 7.408347506e-05; 4.809703169e-14; )) (1,( 1.367118224e-13; 0.0004159009504; 5.389937348e-14; )) (2,( -7.7346438e-06; 0.003148061926; -0.004541315449; )) (3,( -7.7346438e-06; 0.003148061926; 0.004541315449; )) (4,( 3.955820047e-15; -0.003481137743; -0.004775631166; )) (5,( 3.951889814e-15; -0.003481137743; 0.004775631166; )) (6,( -2.658244577e-05; 0.0001105406743; 5.058997942e-14; )) (7,( 2.658357516e-05; 0.0004535206899; 5.236247358e-14; )) (8,( 1.211193012e-05; 0.003144845679; -0.004541388184; )) (9,( 1.211193012e-05; 0.003144845679; 0.004541388184; )) (10,( -1.209976513e-05; -0.00347279745; -0.004776346061; )) (11,( -1.209976513e-05; -0.00347279745; 0.004776346061; )) (12,( -4.249689251e-12; 0.0001481651658; 4.682744821e-14; )) (13,( 7.322406482e-05; 0.0004899834393; 5.328490054e-14; )) (14,( 2.631209595e-14; 0.003153190841; -0.00454067414; )) (15,( 2.623603917e-14; 0.003153190841; 0.00454067414; )) (16,( 7.723705504e-06; -0.00347601439; -0.004776272667; )) (17,( 7.723705504e-06; -0.00347601439; 0.004776272667; )) (18,( -0.004535351871; -0.003147783489; 6.044149573e-16; )) (19,( 0.004529995659; 0.0031937042; 7.404640134e-16; )) 
+2	(0,( -0.002651726937; 0.001903396709; 1.144155521e-13; )) (1,( -1.98442297e-05; -0.003129035733; 1.80738049e-13; )) (2,( 0.004634238983; 0.0003714118592; -0.005256904997; )) (3,( 0.004634238983; 0.0003714118592; 0.005256904997; )) (4,( 9.15369818e-07; 0.002077489399; -0.006197870228; )) (5,( 9.153698183e-07; 0.002077489399; 0.006197870228; )) (6,( -0.0003840995236; 0.003957582571; 1.907925694e-13; )) (7,( 0.0003841510171; -0.003299197575; 1.646998208e-13; )) (8,( -9.008728637e-06; -0.002391925657; -0.005970627979; )) (9,( -9.00872864e-06; -0.002391925657; 0.005970627979; )) (10,( 8.982024286e-06; 0.002067855788; -0.006196461431; )) (11,( 8.982024285e-06; 0.002067855788; 0.006196461431; )) (12,( 1.984469288e-05; 0.003787486968; 1.490134287e-13; )) (13,( 0.002658561658; -0.001292143143; 1.153051282e-13; )) (14,( -9.160897663e-07; -0.002401580293; -0.005972048055; )) (15,( -9.16089763e-07; -0.002401580293; 0.005972048055; )) (16,( -0.004636324237; -0.0006974354333; -0.00548729476; )) (17,( -0.004636324237; -0.0006974354333; 0.00548729476; )) (18,( -0.0006126318739; -0.006933318749; 5.479261977e-16; )) (19,( 0.0006099640238; 0.006974109679; 5.091337534e-16; )) 
+3	(0,( 0.001770722955; 0.008494939885; 1.5657973e-13; )) (1,( 0.004364911256; -0.01383087264; 2.266903192e-13; )) (2,( 0.003938422183; 0.0004752458326; -0.004709229307; )) (3,( 0.003938422183; 0.0004752458326; 0.004709229307; )) (4,( -0.0006944171236; 0.001468343242; -0.00519694848; )) (5,( -0.0006944171236; 0.001468343242; 0.00519694848; )) (6,( -0.0003909669191; 0.02126625843; 1.926391828e-13; )) (7,( 0.0003910414305; -0.02061948218; 2.566930422e-13; )) (8,( -1.013111827e-05; -0.00167945092; -0.004419383289; )) (9,( -1.013111827e-05; -0.00167945092; 0.004419383289; )) (10,( 1.01053616e-05; 0.001356392236; -0.004646613709; )) (11,( 1.01053616e-05; 0.001356392236; 0.004646613709; )) (12,( -0.004357169303; 0.01448751443; 2.666269788e-13; )) (13,( -0.001771644995; -0.007893457947; 1.032215105e-13; )) (14,( 0.0006933863235; -0.001791645193; -0.00496974291; )) (15,( 0.0006933863236; -0.001791645193; 0.00496974291; )) (16,( -0.003939477949; -0.000801053388; -0.004939640084; )) (17,( -0.003939477949; -0.000801053388; 0.004939640084; )) (18,( 0.0004604114164; -0.007381396687; 5.563481444e-16; )) (19,( -0.0004644198364; 0.007421848103; 1.164012611e-15; )) 
+4	(0,( 0.002761649881; 0.008963300455; 1.882288159e-13; )) (1,( 0.00566129554; -0.01457921227; 2.246262933e-13; )) (2,( 0.004044189232; 0.0005648221482; -0.00477238963; )) (3,( 0.004044189232; 0.0005648221482; 0.00477238963; )) (4,( -0.000508852045; 0.001341782147; -0.005318030466; )) (5,( -0.000508852045; 0.001341782147; 0.005318030466; )) (6,( 0.0006032883797; 0.02228562875; 3.132223466e-13; )) (7,( -0.0006029069727; -0.02163820334; 2.536854044e-13; )) (8,( 9.510336855e-05; -0.001516974605; -0.00459820955; )) (9,( 9.510336855e-05; -0.001516974605; 0.00459820955; )) (10,( -9.475987959e-05; 0.001193654829; -0.00482547325; )) (11,( -9.47598796e-05; 0.001193654829; 0.00482547325; )) (12,( -0.005653616302; 0.01523606376; 4.277748774e-14; )) (13,( -0.002762267011; -0.008362045675; 1.120227348e-13; )) (14,( 0.0005075073489; -0.001665233818; -0.005090695573; )) (15,( 0.0005075073489; -0.001665233818; 0.005090695573; )) (16,( -0.004044874826; -0.0008906733761; -0.005003026196; )) (17,( -0.004044874826; -0.000890673376; 0.005003026196; )) (18,( 0.0007106100976; -0.007540542159; 1.263514228e-15; )) (19,( -0.0007146800187; 0.007580747033; 2.356753262e-15; )) 
+5	(0,( 0.002967885162; 0.009170216132; 2.133272631e-13; )) (1,( 0.005687378701; -0.01481644091; 2.915914885e-13; )) (2,( 0.004047649024; 0.0005489393537; -0.004750190717; )) (3,( 0.004047649024; 0.0005489393537; 0.004750190717; )) (4,( -0.0004858745452; 0.001370932743; -0.005291490759; )) (5,( -0.0004858745452; 0.001370932743; 0.005291490759; )) (6,( 0.0004236689621; 0.02244898288; 2.188757909e-13; )) (7,( -0.000423393777; -0.02180158494; 3.806725325e-13; )) (8,( 0.0001144909012; -0.001551887811; -0.004586728127; )) (9,( 0.0001144909012; -0.001551887811; 0.004586728127; )) (10,( -0.0001142073409; 0.001228481579; -0.004813974064; )) (11,( -0.0001142073409; 0.001228481579; 0.004813974064; )) (12,( -0.005679657461; 0.01547317949; 5.166595483e-13; )) (13,( -0.002968438198; -0.008569251953; 1.355859912e-13; )) (14,( 0.00048461105; -0.001694465876; -0.005064166555; )) (15,( 0.00048461105; -0.001694465876; 0.005064166555; )) (16,( -0.004048355993; -0.000874753777; -0.004980795222; )) (17,( -0.004048355993; -0.000874753777; 0.004980795222; )) (18,( 0.0008166456367; -0.007595451653; 1.581395743e-16; )) (19,( -0.0008206026807; 0.007635757479; 4.967201527e-16; )) 
+6	(0,( 0.003050651781; 0.009275791511; 2.243129227e-13; )) (1,( 0.00566720923; -0.01488050177; 2.568921964e-13; )) (2,( 0.004035101379; 0.0005478391821; -0.004744428803; )) (3,( 0.004035101379; 0.0005478391821; 0.004744428803; )) (4,( -0.0004818630175; 0.001373520794; -0.0052877534; )) (5,( -0.0004818630175; 0.001373520794; 0.0052877534; )) (6,( 0.000442889084; 0.02245313162; 3.359502275e-13; )) (7,( -0.0004426334769; -0.02180575414; 2.602605474e-13; )) (8,( 0.0001128897283; -0.001553104482; -0.004585285351; )) (9,( 0.0001128897283; -0.001553104482; 0.004585285351; )) (10,( -0.0001126007667; 0.001229700243; -0.004812518099; )) (11,( -0.0001126007667; 0.001229700243; 0.004812518099; )) (12,( -0.005659472586; 0.01553728795; 2.458988052e-13; )) (13,( -0.003051145005; -0.008674918431; 2.392840602e-13; )) (14,( 0.0004805766942; -0.001697041302; -0.005060436979; )) (15,( 0.0004805766942; -0.001697041302; 0.005060436979; )) (16,( -0.004035832137; -0.0008735769446; -0.004975025191; )) (17,( -0.004035832137; -0.0008735769446; 0.004975025191; )) (18,( 0.0008620951224; -0.00760752519; 2.612046405e-16; )) (19,( -0.0008661379058; 0.007647813472; -2.258881468e-16; )) 
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_IndexedEnergy.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_IndexedEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_IndexedEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,22 @@
+index	level	keyset	energy_total_value	energy_nuclear_repulsion_value	energy_electron_coulomb_value	energy_electron_exchange_value	energy_correlation_value	energy_overlap_value	energy_kinetic_value	energy_hcore_value	energy_total_contribution	energy_nuclear_repulsion_contribution	energy_electron_coulomb_contribution	energy_electron_exchange_contribution	energy_correlation_contribution	energy_overlap_contribution	energy_kinetic_contribution	energy_hcore_contribution
+0	1	{0}	-40.18038993	13.43691297	32.61702034	-6.564735648	0	5	40.20993604	-119.8795236	-40.18038993	13.43691297	32.61702034	-6.564735648	0	5	40.20993604	-119.8795236
+1	1	{1}	-40.18037566	13.43284734	32.61287197	-6.564210629	0	5	40.20807435	-119.8699587	-40.18037566	13.43284734	32.61287197	-6.564210629	0	5	40.20807435	-119.8699587
+2	1	{6}	-40.18038816	13.43640541	32.61650248	-6.564670102	0	5	40.20970359	-119.8783295	-40.18038816	13.43640541	32.61650248	-6.564670102	0	5	40.20970359	-119.8783295
+3	1	{7}	-40.18037566	13.43284739	32.61287198	-6.564210625	0	5	40.20807436	-119.8699588	-40.18037566	13.43284739	32.61287198	-6.564210625	0	5	40.20807436	-119.8699588
+4	1	{12}	-40.1803882	13.43640539	32.61650249	-6.564670114	0	5	40.2097036	-119.8783296	-40.1803882	13.43640539	32.61650249	-6.564670114	0	5	40.2097036	-119.8783296
+5	1	{13}	-40.18037741	13.4333549	32.61338975	-6.564276169	0	5	40.20830681	-119.8711527	-40.18037741	13.4333549	32.61338975	-6.564276169	0	5	40.20830681	-119.8711527
+6	2	{0,1}	-79.19642678	42.35948136	80.10518334	-12.46958252	0	9	79.30588659	-268.4973955	1.164338809	15.48972104	14.87529104	0.6593637551	0	-1	-1.112123801	-28.74791322
+7	2	{1,6}	-79.19642785	42.35875999	80.10443682	-12.46951436	0	9	79.30563755	-268.4957479	1.16433598	15.48950723	14.87506237	0.6593663752	0	-1	-1.112140392	-28.74745961
+8	2	{6,7}	-79.19643465	42.34889743	80.09464967	-12.46914677	0	9	79.30410062	-268.4749356	1.164329166	15.47964462	14.8652752	0.6597339595	0	-1	-1.113677327	-28.72664729
+9	2	{7,12}	-79.19642787	42.35876	80.10443681	-12.46951436	0	9	79.30563757	-268.4957479	1.164335984	15.48950723	14.87506234	0.6593663753	0	-1	-1.112140388	-28.74745958
+10	2	{12,13}	-79.1964268	42.35948134	80.10518329	-12.46958253	0	9	79.30588661	-268.4973955	1.164338811	15.48972106	14.87529105	0.6593637551	0	-1	-1.112123801	-28.74791325
+11	3	{0,1,6}	-118.2143337	83.02424587	139.3349982	-18.37392136	0	13	118.4061881	-440.6058446	-0.00185473094	11.73885186	11.73825005	0.000964883186	0	4.440892099e-14	0.002738355094	-23.48265988
+12	3	{1,6,7}	-118.2143329	83.00532869	139.3159874	-18.3730179	0	13	118.4027407	-440.5653718	-0.001858588768	11.73407669	11.73340335	0.0009731205297	0	-2.664535259e-15	0.002706131245	-23.47301788
+13	3	{6,7,12}	-118.2143443	83.00921025	139.3199987	-18.37347761	0	13	118.4043588	-440.5744344	-0.001857447363	11.73440021	11.73378416	0.0009728981724	0	3.730349363e-14	0.002694994925	-23.4737097
+14	3	{7,12,13}	-118.2143223	83.02036394	139.3309866	-18.37346168	0	13	118.4045701	-440.5967813	-0.001855863659	11.73852798	11.73786894	0.0009650996739	0	3.019806627e-14	0.002749521626	-23.48196741
+15	4	{0,1,6,7}	-157.2317294	131.5769343	206.4667833	-24.27836282	0	17	157.5063969	-628.5034811	0.0005093680056	7.906119722	7.920234521	-0.0009379134801	0	-1.154631946e-14	0.003105580804	-15.82801254
+16	4	{1,6,7,12}	-157.2317328	131.5720127	206.4618851	-24.27828635	0	17	157.5061042	-628.4934484	0.0005098108832	7.90637118	7.92054877	-0.0009376090888	0	-7.105427358e-14	0.003105269555	-15.8285778
+17	4	{6,7,12,13}	-157.2317294	131.5769339	206.466783	-24.27836283	0	17	157.5063969	-628.5034804	0.0005093666459	7.906119734	7.92023458	-0.0009379106704	0	-5.684341886e-14	0.003105571757	-15.82801261
+18	5	{0,1,6,7,12}	-196.249041	186.4739652	279.9482597	-30.18381183	0	21	196.6107057	-829.0981598	8.824046128e-05	6.330346864	6.335578619	-0.0001805574638	0	7.371880884e-14	0.0009453704492	-12.66660206
+19	5	{1,6,7,12,13}	-196.2490297	186.4700285	279.9441482	-30.18335192	0	21	196.6090866	-829.0889411	8.813837205e-05	6.330292143	6.33547872	-0.0001803421307	0	3.375077995e-14	0.0009443591979	-12.66644674
+20	6	{0,1,6,7,12,13}	-235.2663343	246.4308225	358.49334	-36.08884479	0	25	235.713895	-1039.815547	3.68005297e-06	5.058841552	5.062817253	3.261022049e-05	0	-1.421085472e-14	0.0002068198188	-10.12189456
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_LongRangeEnergy.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_LongRangeEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_LongRangeEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,6 @@
+level	electron_longrange	electron_shortrange	mixed_longrange	mixed_shortrange	nuclei_longrange	nuclei_shortrange	total_longrange	total_shortrange
+2	28.06866179	99.63652457	-15.28747868	-14.20166454	88.64196382	174.0023742	86.13566826	245.2355697
+3	19.98115622	107.1708966	-9.539494425	-19.9924897	41.68391179	220.9604262	42.58607916	288.1463434
+4	11.89423105	115.2288677	-4.97725781	-24.55212157	17.89036462	244.7539734	19.83008004	310.878598
+5	2.55560913	124.4977011	-1.691802058	-27.84426577	5.088680314	257.5556577	4.260685327	326.3648273
+6	1.421085472e-14	127.0627898	-1.065814104e-14	-29.54924324	-4.618527782e-14	262.644338	-5.329070518e-14	330.6086413
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Times.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Times.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Times.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,7 @@
+level	times_total_walltime	times_total_cputime	times_gather_walltime	times_gather_cputime
+1	1.800866604	1.068068	0.4446172714	0.288018
+2	17.69498158	8.264518	3.215273857	1.524093
+3	71.06906772	33.450092	9.781906843	4.652289
+4	164.612731	77.580848	20.99871778	10.340643
+5	288.9699528	139.52872	28.57174897	17.725105
+6	371.0067427	191.623976	34.94310808	24.081502
Index: tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_VMGEnergy.dat
===================================================================
--- tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_VMGEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
+++ tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_VMGEnergy.dat	(revision 6531a742da8c394a1d0ad37b8971810903fcaa81)
@@ -0,0 +1,6 @@
+level	sampled_potential	both_sampled_potential	nuclei_long	electron_long
+2	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 2.362157486,2.362157486,2.362157486, window ending at 30.70804731,18.89725989,18.89725989, level of 4 and integrated value of 199.2730491	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 0,0,0, window ending at 37.79451977,37.79451977,37.79451977, level of 4 and integrated value of -40824.85203	159.8007097	-14.20166454
+3	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 2.362157486,2.362157486,2.362157486, window ending at 30.70804731,18.89725989,18.89725989, level of 4 and integrated value of 214.3417932	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 0,0,0, window ending at 37.79451977,37.79451977,37.79451977, level of 4 and integrated value of -40986.32168	200.9679365	-19.9924897
+4	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 2.362157486,2.362157486,2.362157486, window ending at 30.70804731,18.89725989,18.89725989, level of 4 and integrated value of 230.4577354	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 0,0,0, window ending at 37.79451977,37.79451977,37.79451977, level of 4 and integrated value of -40962.25463	220.2018518	-24.55212157
+5	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 2.362157486,2.362157486,2.362157486, window ending at 30.70804731,18.89725989,18.89725989, level of 4 and integrated value of 248.9954022	SamplingGrid starting at 0,0,0 ending at 37.79451977,37.79451977,37.79451977, window starting at 0,0,0, window ending at 37.79451977,37.79451977,37.79451977, level of 4 and integrated value of -40952.86902	229.7113919	-27.84426577
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