CoulombF is one of Full | Georges atom_arg= "qOCA=1" "Nmax=2000" "J=0.8" "Eoca=1.0" "l=2" "n=[5, 6, 7]" "OCA_G=False" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[6]" "max_M_size=100" "qatom=0" "CoulombF='Full'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -0.1177455700000003, 0.029536739999997508, 0.029535289999998326, 0.0036842799999980969]" Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.0917132768 DCs== fixn False nimp, TrSigmaG= 6.24571104757 76.5737400828 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1420793314 DCs== fixn False nimp, TrSigmaG= 6.25163710602 76.9570212934 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1381337821 DCs== fixn False nimp, TrSigmaG= 6.25190716093 76.9368764014 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1334621172 DCs== fixn False nimp, TrSigmaG= 6.25108134433 76.9057387484 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1312591063 DCs== fixn False nimp, TrSigmaG= 6.24935183447 76.8942179274 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1291641958 DCs== fixn False nimp, TrSigmaG= 6.24783479555 76.8821199246 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1264211975 DCs== fixn False nimp, TrSigmaG= 6.24615604273 76.8625095626 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1231144411 DCs== fixn False nimp, TrSigmaG= 6.24938017776 76.839381922 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1238064635 DCs== fixn False nimp, TrSigmaG= 6.24668786048 76.8427076459 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1227953511 DCs== fixn False nimp, TrSigmaG= 6.24700167832 76.8394782486 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1225584591 DCs== fixn False nimp, TrSigmaG= 6.25008459998 76.8379559129 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1211416721 DCs== fixn False nimp, TrSigmaG= 6.2492764175 76.8264866759 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.120347953 DCs== fixn False nimp, TrSigmaG= 6.24419926941 76.8205807221 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.120957997 DCs== fixn False nimp, TrSigmaG= 6.24632090268 76.8249940904 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1219178261 DCs== fixn False nimp, TrSigmaG= 6.24873684994 76.8331525294 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1218420314 DCs== fixn False nimp, TrSigmaG= 6.24763583854 76.8312653981 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1231867379 DCs== fixn False nimp, TrSigmaG= 6.24732346009 76.842878576 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1195374628 DCs== fixn False nimp, TrSigmaG= 6.24532547876 76.81482438 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1223413758 DCs== fixn False nimp, TrSigmaG= 6.24742251238 76.8378561899 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1225042051 DCs== fixn False nimp, TrSigmaG= 6.24620854327 76.8377387989 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1219731081 DCs== fixn False nimp, TrSigmaG= 6.24713490298 76.8321235829 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1229782635 DCs== fixn False nimp, TrSigmaG= 6.24680670649 76.8428023078 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1208957103 DCs== fixn False nimp, TrSigmaG= 6.24829614022 76.8234810331 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1214895042 DCs== fixn False nimp, TrSigmaG= 6.24522424564 76.8281098232 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1209691339 DCs== fixn False nimp, TrSigmaG= 6.2448982238 76.8230793437 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1217729638 DCs== fixn False nimp, TrSigmaG= 6.24743001453 76.8307206627 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1237384885 DCs== fixn False nimp, TrSigmaG= 6.24527728027 76.8470758654 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.119986458 DCs== fixn False nimp, TrSigmaG= 6.2473308423 76.8168160093 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1217454055 DCs== fixn False nimp, TrSigmaG= 6.24735534677 76.8307815074 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.121293681 DCs== fixn False nimp, TrSigmaG= 6.24880626833 76.8292908183 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1219583851 DCs== fixn False nimp, TrSigmaG= 6.24820213113 76.8317635277 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1199250496 DCs== fixn False nimp, TrSigmaG= 6.24477100186 76.8179146776 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1207037712 DCs== fixn False nimp, TrSigmaG= 6.24989155336 76.8269899962 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1191542868 DCs== fixn False nimp, TrSigmaG= 6.24589231392 76.8100231175 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1229125853 DCs== fixn False nimp, TrSigmaG= 6.24990681999 76.8376627961 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1232287573 DCs== fixn False nimp, TrSigmaG= 6.24766856704 76.8416184993 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1202837017 DCs== fixn False nimp, TrSigmaG= 6.24715245689 76.8180967744 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1210717926 DCs== fixn False nimp, TrSigmaG= 6.24511307986 76.8255486958 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1207180505 DCs== fixn False nimp, TrSigmaG= 6.24746902741 76.8228266827 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1215623761 DCs== fixn False nimp, TrSigmaG= 6.24851916971 76.8291584382 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1231093716 DCs== fixn False nimp, TrSigmaG= 6.24834201732 76.8436228897 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1223903793 DCs== fixn False nimp, TrSigmaG= 6.24810087293 76.8357304758 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.122266449 DCs== fixn False nimp, TrSigmaG= 6.24966276449 76.8333571162 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1227013481 DCs== fixn False nimp, TrSigmaG= 6.24733537729 76.8377698206 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1226802116 DCs== fixn False nimp, TrSigmaG= 6.24963332738 76.8361756228 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1232046322 DCs== fixn False nimp, TrSigmaG= 6.24902792993 76.8412109614 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1221792956 DCs== fixn False nimp, TrSigmaG= 6.24904104671 76.8336395832 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1191734984 DCs== fixn False nimp, TrSigmaG= 6.24743311356 76.8102930471 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1197726947 DCs== fixn False nimp, TrSigmaG= 6.24451116721 76.8173741764 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1215366692 DCs== fixn False nimp, TrSigmaG= 6.24952301877 76.8294294012