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, -0.11945178000000212, 0.052132289999999415, 0.052143329999999821, 0.029245109999997965]" 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]] = 26.109553199 DCs== fixn False nimp, TrSigmaG= 6.24642534554 76.8268912258 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]] = 26.1411129538 DCs== fixn False nimp, TrSigmaG= 6.25288605563 77.0717039589 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]] = 26.1359164214 DCs== fixn False nimp, TrSigmaG= 6.24756854392 77.0391597657 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]] = 26.1326737133 DCs== fixn False nimp, TrSigmaG= 6.24961111534 77.0169161182 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]] = 26.131541009 DCs== fixn False nimp, TrSigmaG= 6.24860806522 77.011289095 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]] = 26.1299149785 DCs== fixn False nimp, TrSigmaG= 6.24687786507 77.000287538 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]] = 26.1285319223 DCs== fixn False nimp, TrSigmaG= 6.2508612434 76.9895542117 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]] = 26.1290058398 DCs== fixn False nimp, TrSigmaG= 6.24769627933 76.9959503807 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]] = 26.1262735341 DCs== fixn False nimp, TrSigmaG= 6.24839810072 76.9736183026 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]] = 26.1268653477 DCs== fixn False nimp, TrSigmaG= 6.2486875617 76.97998304 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]] = 26.1254250152 DCs== fixn False nimp, TrSigmaG= 6.24800232253 76.968958577 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]] = 26.1270138622 DCs== fixn False nimp, TrSigmaG= 6.24861258123 76.9821201008 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]] = 26.1239388271 DCs== fixn False nimp, TrSigmaG= 6.24818725177 76.9599013258 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]] = 26.1252006917 DCs== fixn False nimp, TrSigmaG= 6.24573631706 76.969796868 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]] = 26.1231260106 DCs== fixn False nimp, TrSigmaG= 6.24618256186 76.9554557423 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]] = 26.1211323267 DCs== fixn False nimp, TrSigmaG= 6.24263958883 76.9419571114 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]] = 26.1207368718 DCs== fixn False nimp, TrSigmaG= 6.24485080866 76.9389084974 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]] = 26.1220858175 DCs== fixn False nimp, TrSigmaG= 6.24651548758 76.9482831447 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]] = 26.1205802232 DCs== fixn False nimp, TrSigmaG= 6.2483604869 76.9371550479 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]] = 26.1216930879 DCs== fixn False nimp, TrSigmaG= 6.24706307543 76.9458455006 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]] = 26.1215681332 DCs== fixn False nimp, TrSigmaG= 6.24737807467 76.9458090566 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]] = 26.1210540241 DCs== fixn False nimp, TrSigmaG= 6.24589549848 76.9415116423 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]] = 26.1206027717 DCs== fixn False nimp, TrSigmaG= 6.24468198295 76.9388700872 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]] = 26.1201826136 DCs== fixn False nimp, TrSigmaG= 6.24715097453 76.9347130932 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]] = 26.1214228419 DCs== fixn False nimp, TrSigmaG= 6.24784756215 76.9437910558 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]] = 26.1217124739 DCs== fixn False nimp, TrSigmaG= 6.24686032256 76.9455918165 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]] = 26.1213566754 DCs== fixn False nimp, TrSigmaG= 6.24775385244 76.9431143787 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]] = 26.120992445 DCs== fixn False nimp, TrSigmaG= 6.24741503397 76.9382653842 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]] = 26.1229936346 DCs== fixn False nimp, TrSigmaG= 6.24772104027 76.9552224242 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]] = 26.1208143829 DCs== fixn False nimp, TrSigmaG= 6.24760764789 76.9401522319 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]] = 26.1208766188 DCs== fixn False nimp, TrSigmaG= 6.24723272587 76.9405182259 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]] = 26.1207921236 DCs== fixn False nimp, TrSigmaG= 6.24573434244 76.9388577585 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]] = 26.1208622164 DCs== fixn False nimp, TrSigmaG= 6.24818788781 76.9394199571 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]] = 26.1218167226 DCs== fixn False nimp, TrSigmaG= 6.24761195079 76.9461692181 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]] = 26.1216392241 DCs== fixn False nimp, TrSigmaG= 6.24763703311 76.9440674658 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]] = 26.1218258829 DCs== fixn False nimp, TrSigmaG= 6.24779252364 76.9455757302 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]] = 26.122183369 DCs== fixn False nimp, TrSigmaG= 6.24769744914 76.9505764299 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]] = 26.1210937473 DCs== fixn False nimp, TrSigmaG= 6.24454857615 76.9397843009 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]] = 26.1231205028 DCs== fixn False nimp, TrSigmaG= 6.24655168029 76.9559913959 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]] = 26.121504069 DCs== fixn False nimp, TrSigmaG= 6.24758750342 76.9445325037 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]] = 26.1209750342 DCs== fixn False nimp, TrSigmaG= 6.24775101605 76.9406552673 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]] = 26.1212984668 DCs== fixn False nimp, TrSigmaG= 6.2448934019 76.9433417317 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]] = 26.1198470311 DCs== fixn False nimp, TrSigmaG= 6.24644580652 76.9322861195 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]] = 26.12133763 DCs== fixn False nimp, TrSigmaG= 6.24607253147 76.9445562052 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]] = 26.1208047531 DCs== fixn False nimp, TrSigmaG= 6.24694497116 76.9401784741 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]] = 26.1208063555 DCs== fixn False nimp, TrSigmaG= 6.24617919421 76.9402175163 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]] = 26.1209266601 DCs== fixn False nimp, TrSigmaG= 6.24748479923 76.9402930871 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]] = 26.1210835768 DCs== fixn False nimp, TrSigmaG= 6.24725866093 76.9419443396 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]] = 26.1208695184 DCs== fixn False nimp, TrSigmaG= 6.24309897509 76.9404326345 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]] = 26.1204273335 DCs== fixn False nimp, TrSigmaG= 6.24730152471 76.934874308