X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2Ffort.2;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2Ffort.2;h=34377294ff3c109b84c81497d3ea115e2183c43c;hb=c2f78e399d8319a61116e8cb9833cfc6fca9aeb3;hp=ab6aaee54060787a999f7a5e55170e890b498aa7;hpb=3fc7e5eaa3b384501e4864c64ade3c92121fa283;p=unres.git diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2 b/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2 index ab6aaee..3437729 100644 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2 +++ b/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2 @@ -1,1190 +1,133 @@ ====================MD calculation start==================== -Momenta zeroed out, time 99.90 -Momenta zeroed out, time 199.90 -Momenta zeroed out, time 299.90 -Momenta zeroed out, time 399.90 -Momenta zeroed out, time 499.90 -Momenta zeroed out, time 599.90 -Momenta zeroed out, time 699.90 -Momenta zeroed out, time 799.90 -Momenta zeroed out, time 899.90 -Velocities reset to random values, time 999.90 -Momenta zeroed out, time 999.90 -Momenta zeroed out, time 1099.90 -Momenta zeroed out, time 1199.90 -Momenta zeroed out, time 1299.90 -Momenta zeroed out, time 1399.90 -Momenta zeroed out, time 1499.90 - acceleration/energy drift too large 15.030Momenta zeroed out, time 1699.90 -Momenta zeroed out, time 1799.90 -Momenta zeroed out, time 1899.90 -Velocities reset to random values, time 1999.90 -Momenta zeroed out, time 1999.90 -Momenta zeroed out, time 2099.90 -Momenta zeroed out, time 2199.90 -Momenta zeroed out, time 2299.90 -Momenta zeroed out, time 2399.90 -Momenta zeroed out, time 2499.90 -Momenta zeroed out, time 2599.90 -Momenta zeroed out, time 2699.90 -Momenta zeroed out, time 2799.90 -Momenta zeroed out, time 2899.90 -Velocities reset to random values, time 2999.90 -Momenta zeroed out, time 2999.90 -Momenta zeroed out, time 3099.90 -Momenta zeroed out, time 3199.90 -Momenta zeroed out, time 3299.90 -Momenta zeroed out, time 3399.90 - acceleration/energy drift too large 10.8419463548504 - 13.0028622840329 split increased to 2 itime 34735 + acceleration/energy drift too large 33.4751872461861 + 1.38691404383669 split increased to 2 itime 166636 itsplit 1 -Momenta zeroed out, time 3499.90 -Momenta zeroed out, time 3599.90 -Momenta zeroed out, time 3699.90 -Momenta zeroed out, time 3799.90 -Momenta zeroed out, time 3899.90 -Velocities reset to random values, time 3999.90 -Momenta zeroed out, time 3999.90 -Momenta zeroed out, time 4099.90 -Momenta zeroed out, time 4199.90 -Momenta zeroed out, time 4299.90 -Momenta zeroed out, time 4399.90 -Momenta zeroed out, time 4499.90 -Momenta zeroed out, time 4599.90 -Momenta zeroed out, time 4699.90 -Momenta zeroed out, time 4799.90 -Momenta zeroed out, time 4899.90 -Velocities reset to random values, time 4999.90 -Momenta zeroed out, time 4999.90 -Momenta zeroed out, time 5099.90 -Momenta zeroed out, time 5199.90 -Momenta zeroed out, time 5299.90 -Momenta zeroed out, time 5399.90 -Momenta zeroed out, time 5499.90 -Momenta zeroed out, time 5599.90 -Momenta zeroed out, time 5699.90 -Momenta zeroed out, time 5799.90 -Momenta zeroed out, time 5899.90 -Velocities reset to random values, time 5999.90 -Momenta zeroed out, time 5999.90 -Momenta zeroed out, time 6099.90 -Momenta zeroed out, time 6199.90 -Momenta zeroed out, time 6299.90 -Momenta zeroed out, time 6399.90 -Momenta zeroed out, time 6499.90 -Momenta zeroed out, time 6599.90 -Momenta zeroed out, time 6699.90 -Momenta zeroed out, time 6799.90 -Momenta zeroed out, time 6899.90 -Velocities reset to random values, time 6999.90 -Momenta zeroed out, time 6999.90 -Momenta zeroed out, time 7099.90 -Momenta zeroed out, time 7199.90 -Momenta zeroed out, time 7299.90 -Momenta zeroed out, time 7399.90 -Momenta zeroed out, time 7499.90 -Momenta zeroed out, time 7599.90 -Momenta zeroed out, time 7699.90 -Momenta zeroed out, time 7799.90 -Momenta zeroed out, time 7899.90 -Velocities reset to random values, time 7999.90 -Momenta zeroed out, time 7999.90 -Momenta zeroed out, time 8099.90 - acceleration/energy drift too large 10.4510216742182 - 33.6134182993920 split increased to 2 itime 81334 + acceleration/energy drift too large 20.2890583963300 + 1.18867876602111 split increased to 2 itime 182714 itsplit 1 -Momenta zeroed out, time 8199.90 -Momenta zeroed out, time 8299.90 -Momenta zeroed out, time 8399.90 -Momenta zeroed out, time 8499.90 -Momenta zeroed out, time 8599.90 -Momenta zeroed out, time 8699.90 -Momenta zeroed out, time 8799.90 -Momenta zeroed out, time 8899.90 -Velocities reset to random values, time 8999.90 -Momenta zeroed out, time 8999.90 -Momenta zeroed out, time 9099.90 -Momenta zeroed out, time 9199.90 -Momenta zeroed out, time 9299.90 -Momenta zeroed out, time 9399.90 -Momenta zeroed out, time 9499.90 -Momenta zeroed out, time 9599.90 -Momenta zeroed out, time 9699.90 -Momenta zeroed out, time 9799.90 -Momenta zeroed out, time 9899.90 -Velocities reset to random values, time 9999.90 -Momenta zeroed out, time 9999.90 -Momenta zeroed out, time 10099.90 -Momenta zeroed out, time 10199.90 -Momenta zeroed out, time 10299.90 -Momenta zeroed out, time 10399.90 -Momenta zeroed out, time 10499.90 -Momenta zeroed out, time 10599.90 -Momenta zeroed out, time 10699.90 -Momenta zeroed out, time 10799.90 -Momenta zeroed out, time 10899.90 -Velocities reset to random values, time 10999.90 -Momenta zeroed out, time 10999.90 -Momenta zeroed out, time 11099.90 -Momenta zeroed out, time 11199.90 -Momenta zeroed out, time 11299.90 -Momenta zeroed out, time 11399.90 -Momenta zeroed out, time 11499.90 -Momenta zeroed out, time 11599.90 -Momenta zeroed out, time 11699.90 -Momenta zeroed out, time 11799.90 -Momenta zeroed out, time 11899.90 -Velocities reset to random values, time 11999.90 -Momenta zeroed out, time 11999.90 -Momenta zeroed out, time 12099.90 -Momenta zeroed out, time 12199.90 -Momenta zeroed out, time 12299.90 -Momenta zeroed out, time 12399.90 -Momenta zeroed out, time 12499.90 -Momenta zeroed out, time 12599.90 -Momenta zeroed out, time 12699.90 -Momenta zeroed out, time 12799.90 -Momenta zeroed out, time 12899.90 -Velocities reset to random values, time 12999.90 -Momenta zeroed out, time 12999.90 -Momenta zeroed out, time 13099.90 -Momenta zeroed out, time 13199.90 -Momenta zeroed out, time 13299.90 -Momenta zeroed out, time 13399.90 -Momenta zeroed out, time 13499.90 -Momenta zeroed out, time 13599.90 -Momenta zeroed out, time 13699.90 -Momenta zeroed out, time 13799.90 -Momenta zeroed out, time 13899.90 -Velocities reset to random values, time 13999.90 -Momenta zeroed out, time 13999.90 - acceleration/energy drift too large 10.0423940124104 Velocities reset to random values, time 13999.90 -Momenta zeroed out, time 13999.90 -Momenta zeroed out, time 14099.90 -Momenta zeroed out, time 14199.90 -Momenta zeroed out, time 14299.90 -Momenta zeroed out, time 14399.90 -Momenta zeroed out, time 14499.90 -Momenta zeroed out, time 14599.90 -Momenta zeroed out, time 14699.90 -Momenta zeroed out, time 14799.90 -Momenta zeroed out, time 14899.90 -Velocities reset to random values, time 14999.90 -Momenta zeroed out, time 14999.90 -Momenta zeroed out, time 15099.90 -Momenta zeroed out, time 15199.90 -Momenta zeroed out, time 15299.90 -Momenta zeroed out, time 15399.90 -Momenta zeroed out, time 15499.90 -Momenta zeroed out, time 15599.90 -Momenta zeroed out, time 15699.90 -Momenta zeroed out, time 15799.90 -Momenta zeroed out, time 15899.90 -Velocities reset to random values, time 15999.90 -Momenta zeroed out, time 15999.90 -Momenta zeroed out, time 16099.90 -Momenta zeroed out, time 16199.90 -Momenta zeroed out, time 16299.90 -Momenta zeroed out, time 16399.90 -Momenta zeroed out, time 16499.90 -Momenta zeroed out, time 16599.90 -Momenta zeroed out, time 16699.90 -Momenta zeroed out, time 16799.90 -Momenta zeroed out, time 16899.90 -Velocities reset to random values, time 16999.90 -Momenta zeroed out, time 16999.90 -Momenta zeroed out, time 17099.90 -Momenta zeroed out, time 17199.90 -Momenta zeroed out, time 17299.90 -Momenta zeroed out, time 17399.90 -Momenta zeroed out, time 17499.90 -Momenta zeroed out, time 17599.90 -Momenta zeroed out, time 17699.90 -Momenta zeroed out, time 17799.90 -Momenta zeroed out, time 17899.90 -Velocities reset to random values, time 17999.90 -Momenta zeroed out, time 17999.90 -Momenta zeroed out, time 18099.90 -Momenta zeroed out, time 18199.90 -Momenta zeroed out, time 18299.90 -Momenta zeroed out, time 18399.90 -Momenta zeroed out, time 18499.90 -Momenta zeroed out, time 18599.90 -Momenta zeroed out, time 18699.90 -Momenta zeroed out, time 18799.90 -Momenta zeroed out, time 18899.90 -Velocities reset to random values, time 18999.90 -Momenta zeroed out, time 18999.90 -Momenta zeroed out, time 19099.90 -Momenta zeroed out, time 19199.90 -Momenta zeroed out, time 19299.90 -Momenta zeroed out, time 19399.90 -Momenta zeroed out, time 19499.90 -Momenta zeroed out, time 19599.90 -Momenta zeroed out, time 19699.90 -Momenta zeroed out, time 19799.90 -Momenta zeroed out, time 19899.90 -Velocities reset to random values, time 19999.90 -Momenta zeroed out, time 19999.90 -Momenta zeroed out, time 20099.90 -Momenta zeroed out, time 20199.90 -Momenta zeroed out, time 20299.90 -Momenta zeroed out, time 20399.90 -Momenta zeroed out, time 20499.90 -Momenta zeroed out, time 20599.90 -Momenta zeroed out, time 20699.90 -Momenta zeroed out, time 20799.90 -Momenta zeroed out, time 20899.90 -Velocities reset to random values, time 20999.90 -Momenta zeroed out, time 20999.90 -Momenta zeroed out, time 21099.90 -Momenta zeroed out, time 21199.90 -Momenta zeroed out, time 21299.90 -Momenta zeroed out, time 21399.90 -Momenta zeroed out, time 21499.90 -Momenta zeroed out, time 21599.90 -Momenta zeroed out, time 21699.90 -Momenta zeroed out, time 21799.90 -Momenta zeroed out, time 21899.90 -Velocities reset to random values, time 21999.90 -Momenta zeroed out, time 21999.90 -Momenta zeroed out, time 22099.90 -Momenta zeroed out, time 22199.90 -Momenta zeroed out, time 22299.90 -Momenta zeroed out, time 22399.90 -Momenta zeroed out, time 22499.90 -Momenta zeroed out, time 22599.90 -Momenta zeroed out, time 22699.90 -Momenta zeroed out, time 22799.90 -Momenta zeroed out, time 22899.90 -Velocities reset to random values, time 22999.90 -Momenta zeroed out, time 22999.90 -Momenta zeroed out, time 23099.90 - acceleration/energy drift too large 10.7392559950983 - 18.8763756991492 split increased to 2 itime 231267 + acceleration/energy drift too large 20.6699218634773 + 1.18574720208309 split increased to 2 itime 238523 itsplit 1 -Momenta zeroed out, time 23199.90 -Momenta zeroed out, time 23299.90 -Momenta zeroed out, time 23399.90 -Momenta zeroed out, time 23499.90 -Momenta zeroed out, time 23599.90 -Momenta zeroed out, time 23699.90 -Momenta zeroed out, time 23799.90 -Momenta zeroed out, time 23899.90 -Velocities reset to random values, time 23999.90 -Momenta zeroed out, time 23999.90 -Momenta zeroed out, time 24099.90 -Momenta zeroed out, time 24199.90 -Momenta zeroed out, time 24299.90 -Momenta zeroed out, time 24399.90 -Momenta zeroed out, time 24499.90 -Momenta zeroed out, time 24599.90 -Momenta zeroed out, time 24699.90 -Momenta zeroed out, time 24799.90 -Momenta zeroed out, time 24899.90 -Velocities reset to random values, time 24999.90 -Momenta zeroed out, time 24999.90 -Momenta zeroed out, time 25099.90 -Momenta zeroed out, time 25199.90 -Momenta zeroed out, time 25299.90 -Momenta zeroed out, time 25399.90 -Momenta zeroed out, time 25499.90 -Momenta zeroed out, time 25599.90 -Momenta zeroed out, time 25699.90 -Momenta zeroed out, time 25799.90 -Momenta zeroed out, time 25899.90 -Velocities reset to random values, time 25999.90 -Momenta zeroed out, time 25999.90 -Momenta zeroed out, time 26099.90 -Momenta zeroed out, time 26199.90 -Momenta zeroed out, time 26299.90 -Momenta zeroed out, time 26399.90 -Momenta zeroed out, time 26499.90 -Momenta zeroed out, time 26599.90 -Momenta zeroed out, time 26699.90 -Momenta zeroed out, time 26799.90 -Momenta zeroed out, time 26899.90 -Velocities reset to random values, time 26999.90 -Momenta zeroed out, time 26999.90 -Momenta zeroed out, time 27099.90 -Momenta zeroed out, time 27199.90 -Momenta zeroed out, time 27299.90 -Momenta zeroed out, time 27399.90 -Momenta zeroed out, time 27499.90 -Momenta zeroed out, time 27599.90 -Momenta zeroed out, time 27699.90 -Momenta zeroed out, time 27799.90 -Momenta zeroed out, time 27899.90 -Velocities reset to random values, time 27999.90 -Momenta zeroed out, time 27999.90 -Momenta zeroed out, time 28099.90 - acceleration/energy drift too large 16.8385519363776 - 23.8103553668110 split increased to 2 itime 281760 + acceleration/energy drift too large 23.8278945229627 + 0.923608750719812 split increased to 2 itime 272726 itsplit 1 -Momenta zeroed out, time 28199.90 -Momenta zeroed out, time 28299.90 -Momenta zeroed out, time 28399.90 -Momenta zeroed out, time 28499.90 -Momenta zeroed out, time 28599.90 -Momenta zeroed out, time 28699.90 -Momenta zeroed out, time 28799.90 -Momenta zeroed out, time 28899.90 -Velocities reset to random values, time 28999.90 -Momenta zeroed out, time 28999.90 -Momenta zeroed out, time 29099.90 -Momenta zeroed out, time 29199.90 -Momenta zeroed out, time 29299.90 -Momenta zeroed out, time 29399.90 -Momenta zeroed out, time 29499.90 -Momenta zeroed out, time 29599.90 -Momenta zeroed out, time 29699.90 -Momenta zeroed out, time 29799.90 -Momenta zeroed out, time 29899.90 -Velocities reset to random values, time 29999.90 -Momenta zeroed out, time 29999.90 -Momenta zeroed out, time 30099.90 -Momenta zeroed out, time 30199.90 -Momenta zeroed out, time 30299.90 -Momenta zeroed out, time 30399.90 -Momenta zeroed out, time 30499.90 -Momenta zeroed out, time 30599.90 -Momenta zeroed out, time 30699.90 -Momenta zeroed out, time 30799.90 -Momenta zeroed out, time 30899.90 -Velocities reset to random values, time 30999.90 -Momenta zeroed out, time 30999.90 -Momenta zeroed out, time 31099.90 -Momenta zeroed out, time 31199.90 -Momenta zeroed out, time 31299.90 -Momenta zeroed out, time 31399.90 -Momenta zeroed out, time 31499.90 -Momenta zeroed out, time 31599.90 -Momenta zeroed out, time 31699.90 -Momenta zeroed out, time 31799.90 -Momenta zeroed out, time 31899.90 -Velocities reset to random values, time 31999.90 -Momenta zeroed out, time 31999.90 -Momenta zeroed out, time 32099.90 -Momenta zeroed out, time 32199.90 -Momenta zeroed out, time 32299.90 -Momenta zeroed out, time 32399.90 -Momenta zeroed out, time 32499.90 -Momenta zeroed out, time 32599.90 -Momenta zeroed out, time 32699.90 -Momenta zeroed out, time 32799.90 -Momenta zeroed out, time 32899.90 -Velocities reset to random values, time 32999.90 -Momenta zeroed out, time 32999.90 -Momenta zeroed out, time 33099.90 -Momenta zeroed out, time 33199.90 -Momenta zeroed out, time 33299.90 -Momenta zeroed out, time 33399.90 -Momenta zeroed out, time 33499.90 -Momenta zeroed out, time 33599.90 -Momenta zeroed out, time 33699.90 -Momenta zeroed out, time 33799.90 -Momenta zeroed out, time 33899.90 -Velocities reset to random values, time 33999.90 -Momenta zeroed out, time 33999.90 -Momenta zeroed out, time 34099.90 -Momenta zeroed out, time 34199.90 - acceleration/energy drift too large 10.8763026044751 - 13.8419707872511 split increased to 2 itime 342553 + acceleration/energy drift too large 35.4729437633830 + 1.88112303096758 split increased to 2 itime 367586 itsplit 1 -Momenta zeroed out, time 34299.90 -Momenta zeroed out, time 34399.90 -Momenta zeroed out, time 34499.90 -Momenta zeroed out, time 34599.90 -Momenta zeroed out, time 34699.90 -Momenta zeroed out, time 34799.90 -Momenta zeroed out, time 34899.90 -Velocities reset to random values, time 34999.90 -Momenta zeroed out, time 34999.90 -Momenta zeroed out, time 35099.90 -Momenta zeroed out, time 35199.90 -Momenta zeroed out, time 35299.90 -Momenta zeroed out, time 35399.90 -Momenta zeroed out, time 35499.90 -Momenta zeroed out, time 35599.90 -Momenta zeroed out, time 35699.90 -Momenta zeroed out, time 35799.90 -Momenta zeroed out, time 35899.90 -Velocities reset to random values, time 35999.90 -Momenta zeroed out, time 35999.90 -Momenta zeroed out, time 36099.90 -Momenta zeroed out, time 36199.90 -Momenta zeroed out, time 36299.90 -Momenta zeroed out, time 36399.90 -Momenta zeroed out, time 36499.90 -Momenta zeroed out, time 36599.90 -Momenta zeroed out, time 36699.90 -Momenta zeroed out, time 36799.90 -Momenta zeroed out, time 36899.90 -Velocities reset to random values, time 36999.90 -Momenta zeroed out, time 36999.90 -Momenta zeroed out, time 37099.90 -Momenta zeroed out, time 37199.90 -Momenta zeroed out, time 37299.90 -Momenta zeroed out, time 37399.90 -Momenta zeroed out, time 37499.90 -Momenta zeroed out, time 37599.90 -Momenta zeroed out, time 37699.90 -Momenta zeroed out, time 37799.90 -Momenta zeroed out, time 37899.90 -Velocities reset to random values, time 37999.90 -Momenta zeroed out, time 37999.90 -Momenta zeroed out, time 38099.90 -Momenta zeroed out, time 38199.90 -Momenta zeroed out, time 38299.90 -Momenta zeroed out, time 38399.90 -Momenta zeroed out, time 38499.90 -Momenta zeroed out, time 38599.90 -Momenta zeroed out, time 38699.90 -Momenta zeroed out, time 38799.90 -Momenta zeroed out, time 38899.90 -Velocities reset to random values, time 38999.90 -Momenta zeroed out, time 38999.90 -Momenta zeroed out, time 39099.90 -Momenta zeroed out, time 39199.90 -Momenta zeroed out, time 39299.90 -Momenta zeroed out, time 39399.90 -Momenta zeroed out, time 39499.90 -Momenta zeroed out, time 39599.90 -Momenta zeroed out, time 39699.90 -Momenta zeroed out, time 39799.90 -Momenta zeroed out, time 39899.90 -Velocities reset to random values, time 39999.90 -Momenta zeroed out, time 39999.90 -Momenta zeroed out, time 40099.90 -Momenta zeroed out, time 40199.90 -Momenta zeroed out, time 40299.90 -Momenta zeroed out, time 40399.90 -Momenta zeroed out, time 40499.90 -Momenta zeroed out, time 40599.90 -Momenta zeroed out, time 40699.90 -Momenta zeroed out, time 40799.90 -Momenta zeroed out, time 40899.90 -Velocities reset to random values, time 40999.90 -Momenta zeroed out, time 40999.90 -Momenta zeroed out, time 41099.90 -Momenta zeroed out, time 41199.90 -Momenta zeroed out, time 41299.90 -Momenta zeroed out, time 41399.90 -Momenta zeroed out, time 41499.90 -Momenta zeroed out, time 41599.90 -Momenta zeroed out, time 41699.90 -Momenta zeroed out, time 41799.90 -Momenta zeroed out, time 41899.90 -Velocities reset to random values, time 41999.90 -Momenta zeroed out, time 41999.90 -Momenta zeroed out, time 42099.90 -Momenta zeroed out, time 42199.90 -Momenta zeroed out, time 42299.90 -Momenta zeroed out, time 42399.90 -Momenta zeroed out, time 42499.90 -Momenta zeroed out, time 42599.90 -Momenta zeroed out, time 42699.90 -Momenta zeroed out, time 42799.90 -Momenta zeroed out, time 42899.90 -Velocities reset to random values, time 42999.90 -Momenta zeroed out, time 42999.90 -Momenta zeroed out, time 43099.90 -Momenta zeroed out, time 43199.90 -Momenta zeroed out, time 43299.90 -Momenta zeroed out, time 43399.90 -Momenta zeroed out, time 43499.90 -Momenta zeroed out, time 43599.90 -Momenta zeroed out, time 43699.90 -Momenta zeroed out, time 43799.90 -Momenta zeroed out, time 43899.90 - acceleration/energy drift too large 14.2514662479387 - 19.9974723546334 split increased to 2 itime 439651 + acceleration/energy drift too large 41.2306778634402 + 1.56338130844387 split increased to 2 itime 439413 itsplit 1 -Velocities reset to random values, time 43999.90 -Momenta zeroed out, time 43999.90 -Momenta zeroed out, time 44099.90 -Momenta zeroed out, time 44199.90 -Momenta zeroed out, time 44299.90 -Momenta zeroed out, time 44399.90 -Momenta zeroed out, time 44499.90 -Momenta zeroed out, time 44599.90 -Momenta zeroed out, time 44699.90 -Momenta zeroed out, time 44799.90 -Momenta zeroed out, time 44899.90 -Velocities reset to random values, time 44999.90 -Momenta zeroed out, time 44999.90 -Momenta zeroed out, time 45099.90 -Momenta zeroed out, time 45199.90 -Momenta zeroed out, time 45299.90 -Momenta zeroed out, time 45399.90 -Momenta zeroed out, time 45499.90 -Momenta zeroed out, time 45599.90 -Momenta zeroed out, time 45699.90 -Momenta zeroed out, time 45799.90 -Momenta zeroed out, time 45899.90 -Velocities reset to random values, time 45999.90 -Momenta zeroed out, time 45999.90 -Momenta zeroed out, time 46099.90 -Momenta zeroed out, time 46199.90 -Momenta zeroed out, time 46299.90 -Momenta zeroed out, time 46399.90 -Momenta zeroed out, time 46499.90 -Momenta zeroed out, time 46599.90 -Momenta zeroed out, time 46699.90 -Momenta zeroed out, time 46799.90 -Momenta zeroed out, time 46899.90 -Velocities reset to random values, time 46999.90 -Momenta zeroed out, time 46999.90 -Momenta zeroed out, time 47099.90 -Momenta zeroed out, time 47199.90 -Momenta zeroed out, time 47299.90 -Momenta zeroed out, time 47399.90 -Momenta zeroed out, time 47499.90 -Momenta zeroed out, time 47599.90 -Momenta zeroed out, time 47699.90 -Momenta zeroed out, time 47799.90 -Momenta zeroed out, time 47899.90 -Velocities reset to random values, time 47999.90 -Momenta zeroed out, time 47999.90 -Momenta zeroed out, time 48099.90 -Momenta zeroed out, time 48199.90 -Momenta zeroed out, time 48299.90 -Momenta zeroed out, time 48399.90 -Momenta zeroed out, time 48499.90 -Momenta zeroed out, time 48599.90 -Momenta zeroed out, time 48699.90 -Momenta zeroed out, time 48799.90 -Momenta zeroed out, time 48899.90 -Velocities reset to random values, time 48999.90 -Momenta zeroed out, time 48999.90 -Momenta zeroed out, time 49099.90 -Momenta zeroed out, time 49199.90 -Momenta zeroed out, time 49299.90 -Momenta zeroed out, time 49399.90 -Momenta zeroed out, time 49499.90 -Momenta zeroed out, time 49599.90 -Momenta zeroed out, time 49699.90 -Momenta zeroed out, time 49799.90 -Momenta zeroed out, time 49899.90 -Velocities reset to random values, time 49999.90 -Momenta zeroed out, time 49999.90 -Momenta zeroed out, time 50099.90 -Momenta zeroed out, time 50199.90 -Momenta zeroed out, time 50299.90 -Momenta zeroed out, time 50399.90 -Momenta zeroed out, time 50499.90 -Momenta zeroed out, time 50599.90 -Momenta zeroed out, time 50699.90 -Momenta zeroed out, time 50799.90 -Momenta zeroed out, time 50899.90 -Velocities reset to random values, time 50999.90 -Momenta zeroed out, time 50999.90 -Momenta zeroed out, time 51099.90 -Momenta zeroed out, time 51199.90 -Momenta zeroed out, time 51299.90 -Momenta zeroed out, time 51399.90 -Momenta zeroed out, time 51499.90 -Momenta zeroed out, time 51599.90 -Momenta zeroed out, time 51699.90 -Momenta zeroed out, time 51799.90 -Momenta zeroed out, time 51899.90 -Velocities reset to random values, time 51999.90 -Momenta zeroed out, time 51999.90 -Momenta zeroed out, time 52099.90 -Momenta zeroed out, time 52199.90 -Momenta zeroed out, time 52299.90 -Momenta zeroed out, time 52399.90 -Momenta zeroed out, time 52499.90 -Momenta zeroed out, time 52599.90 -Momenta zeroed out, time 52699.90 -Momenta zeroed out, time 52799.90 -Momenta zeroed out, time 52899.90 -Velocities reset to random values, time 52999.90 -Momenta zeroed out, time 52999.90 -Momenta zeroed out, time 53099.90 -Momenta zeroed out, time 53199.90 -Momenta zeroed out, time 53299.90 -Momenta zeroed out, time 53399.90 -Momenta zeroed out, time 53499.90 -Momenta zeroed out, time 53599.90 -Momenta zeroed out, time 53699.90 -Momenta zeroed out, time 53799.90 -Momenta zeroed out, time 53899.90 - acceleration/energy drift too large 5.88578703999204 - 10.5295730963670 split increased to 2 itime 539255 + acceleration/energy drift too large 20.4588124627796 + 0.720944803924687 split increased to 2 itime 487024 itsplit 1 -Velocities reset to random values, time 53999.90 -Momenta zeroed out, time 53999.90 -Momenta zeroed out, time 54099.90 -Momenta zeroed out, time 54199.90 -Momenta zeroed out, time 54299.90 -Momenta zeroed out, time 54399.90 -Momenta zeroed out, time 54499.90 -Momenta zeroed out, time 54599.90 -Momenta zeroed out, time 54699.90 -Momenta zeroed out, time 54799.90 -Momenta zeroed out, time 54899.90 -Velocities reset to random values, time 54999.90 -Momenta zeroed out, time 54999.90 -Momenta zeroed out, time 55099.90 -Momenta zeroed out, time 55199.90 -Momenta zeroed out, time 55299.90 -Momenta zeroed out, time 55399.90 -Momenta zeroed out, time 55499.90 -Momenta zeroed out, time 55599.90 -Momenta zeroed out, time 55699.90 -Momenta zeroed out, time 55799.90 -Momenta zeroed out, time 55899.90 -Velocities reset to random values, time 55999.90 -Momenta zeroed out, time 55999.90 -Momenta zeroed out, time 56099.90 -Momenta zeroed out, time 56199.90 -Momenta zeroed out, time 56299.90 -Momenta zeroed out, time 56399.90 -Momenta zeroed out, time 56499.90 -Momenta zeroed out, time 56599.90 -Momenta zeroed out, time 56699.90 - acceleration/energy drift too large 5.74118683160867 - 11.4988462379421 split increased to 2 itime 567593 + acceleration/energy drift too large 28.4695243734328 + 2.05737326191522 split increased to 2 itime 487025 itsplit 1 -Momenta zeroed out, time 56799.90 -Momenta zeroed out, time 56899.90 -Velocities reset to random values, time 56999.90 -Momenta zeroed out, time 56999.90 -Momenta zeroed out, time 57099.90 -Momenta zeroed out, time 57199.90 -Momenta zeroed out, time 57299.90 -Momenta zeroed out, time 57399.90 -Momenta zeroed out, time 57499.90 -Momenta zeroed out, time 57599.90 -Momenta zeroed out, time 57699.90 -Momenta zeroed out, time 57799.90 -Momenta zeroed out, time 57899.90 -Velocities reset to random values, time 57999.90 -Momenta zeroed out, time 57999.90 -Momenta zeroed out, time 58099.90 -Momenta zeroed out, time 58199.90 -Momenta zeroed out, time 58299.90 -Momenta zeroed out, time 58399.90 -Momenta zeroed out, time 58499.90 -Momenta zeroed out, time 58599.90 -Momenta zeroed out, time 58699.90 -Momenta zeroed out, time 58799.90 -Momenta zeroed out, time 58899.90 -Velocities reset to random values, time 58999.90 -Momenta zeroed out, time 58999.90 -Momenta zeroed out, time 59099.90 -Momenta zeroed out, time 59199.90 -Momenta zeroed out, time 59299.90 -Momenta zeroed out, time 59399.90 -Momenta zeroed out, time 59499.90 -Momenta zeroed out, time 59599.90 -Momenta zeroed out, time 59699.90 -Momenta zeroed out, time 59799.90 -Momenta zeroed out, time 59899.90 -Velocities reset to random values, time 59999.90 -Momenta zeroed out, time 59999.90 -Momenta zeroed out, time 60099.90 -Momenta zeroed out, time 60199.90 -Momenta zeroed out, time 60299.90 -Momenta zeroed out, time 60399.90 -Momenta zeroed out, time 60499.90 -Momenta zeroed out, time 60599.90 -Momenta zeroed out, time 60699.90 -Momenta zeroed out, time 60799.90 -Momenta zeroed out, time 60899.90 -Velocities reset to random values, time 60999.90 -Momenta zeroed out, time 60999.90 -Momenta zeroed out, time 61099.90 -Momenta zeroed out, time 61199.90 -Momenta zeroed out, time 61299.90 -Momenta zeroed out, time 61399.90 -Momenta zeroed out, time 61499.90 -Momenta zeroed out, time 61599.90 -Momenta zeroed out, time 61699.90 -Momenta zeroed out, time 61799.90 -Momenta zeroed out, time 61899.90 -Velocities reset to random values, time 61999.90 -Momenta zeroed out, time 61999.90 -Momenta zeroed out, time 62099.90 -Momenta zeroed out, time 62199.90 -Momenta zeroed out, time 62299.90 -Momenta zeroed out, time 62399.90 -Momenta zeroed out, time 62499.90 -Momenta zeroed out, time 62599.90 -Momenta zeroed out, time 62699.90 -Momenta zeroed out, time 62799.90 -Momenta zeroed out, time 62899.90 -Velocities reset to random values, time 62999.90 -Momenta zeroed out, time 62999.90 -Momenta zeroed out, time 63099.90 -Momenta zeroed out, time 63199.90 -Momenta zeroed out, time 63299.90 -Momenta zeroed out, time 63399.90 -Momenta zeroed out, time 63499.90 -Momenta zeroed out, time 63599.90 -Momenta zeroed out, time 63699.90 -Momenta zeroed out, time 63799.90 -Momenta zeroed out, time 63899.90 -Velocities reset to random values, time 63999.90 -Momenta zeroed out, time 63999.90 -Momenta zeroed out, time 64099.90 -Momenta zeroed out, time 64199.90 -Momenta zeroed out, time 64299.90 -Momenta zeroed out, time 64399.90 -Momenta zeroed out, time 64499.90 -Momenta zeroed out, time 64599.90 -Momenta zeroed out, time 64699.90 -Momenta zeroed out, time 64799.90 -Momenta zeroed out, time 64899.90 - acceleration/energy drift too large 11.4247690173388 - 14.2412343120624 split increased to 2 itime 649964 + acceleration/energy drift too large 21.8314781110461 + 3.14623684545060 split increased to 2 itime 539618 itsplit 1 -Velocities reset to random values, time 64999.90 -Momenta zeroed out, time 64999.90 -Momenta zeroed out, time 65099.90 -Momenta zeroed out, time 65199.90 -Momenta zeroed out, time 65299.90 -Momenta zeroed out, time 65399.90 -Momenta zeroed out, time 65499.90 -Momenta zeroed out, time 65599.90 -Momenta zeroed out, time 65699.90 -Momenta zeroed out, time 65799.90 -Momenta zeroed out, time 65899.90 -Velocities reset to random values, time 65999.90 -Momenta zeroed out, time 65999.90 -Momenta zeroed out, time 66099.90 - acceleration/energy drift too large 15.1333986044294 - 20.7881572994164 split increased to 2 itime 661122 + acceleration/energy drift too large 23.8953514154246 + 0.723699824413302 split increased to 2 itime 539838 itsplit 1 -Momenta zeroed out, time 66199.90 -Momenta zeroed out, time 66299.90 -Momenta zeroed out, time 66399.90 -Momenta zeroed out, time 66499.90 -Momenta zeroed out, time 66599.90 -Momenta zeroed out, time 66699.90 -Momenta zeroed out, time 66799.90 -Momenta zeroed out, time 66899.90 -Velocities reset to random values, time 66999.90 -Momenta zeroed out, time 66999.90 -Momenta zeroed out, time 67099.90 -Momenta zeroed out, time 67199.90 -Momenta zeroed out, time 67299.90 -Momenta zeroed out, time 67399.90 -Momenta zeroed out, time 67499.90 -Momenta zeroed out, time 67599.90 -Momenta zeroed out, time 67699.90 -Momenta zeroed out, time 67799.90 -Momenta zeroed out, time 67899.90 -Velocities reset to random values, time 67999.90 -Momenta zeroed out, time 67999.90 -Momenta zeroed out, time 68099.90 -Momenta zeroed out, time 68199.90 - acceleration/energy drift too large 6.93225730799773 - 15.9216311969012 split increased to 2 itime 682721 + acceleration/energy drift too large 22.0020599857867 + 0.892869142543182 split increased to 2 itime 635110 itsplit 1 -Momenta zeroed out, time 68299.90 -Momenta zeroed out, time 68399.90 -Momenta zeroed out, time 68499.90 -Momenta zeroed out, time 68599.90 -Momenta zeroed out, time 68699.90 -Momenta zeroed out, time 68799.90 -Momenta zeroed out, time 68899.90 -Velocities reset to random values, time 68999.90 -Momenta zeroed out, time 68MomentaMomenta zeroed out, time 69MomentaMomenta zeroed out, time 69VelocitMomenta zeroed out, time 69299.90 -Momenta zeroed out, time 69399.90 -Momenta zeroed out, time 69499.90 -Momenta zeroed out, time 69599.90 -Momenta zeroed out, time 69699.90 -Momenta zeroed out, time 69799.90 -Momenta zeroed out, time 69899.90 -Velocities reset to random values, time 69999.90 -Momenta zeroed out, time 69MomentaMomenta zeroed out, time 70MomentaMomenta zeroed out, time 70199.90 -Momenta zeroed out, time 70299.90 -Momenta zeroed out, time 70399.90 -Momenta zeroed out, time 70499.90 -Momenta zeroed out, time 70599.90 -Momenta zeroed out, time 70699.90 -Momenta zeroed out, time 70799.90 -Momenta zeroed out, time 70899.90 -Velocities reset to random values, time 70999.90 -Momenta zeroed out, time 70MomentaMomenta zeroed out, time 71099.90 -Momenta zeroed out, time 71199.90 -Momenta zeroed out, time 71299.90 - acceleration/energy drift too large 10.561Momenta zeroed out, time 71499.90 -Momenta zeroed out, time 71599.90 -Momenta zeroed out, time 71699.90 -Momenta zeroed out, time 71799.90 -Momenta zeroed out, time 71899.90 -Velocities reset to random values, time 71999.90 -Momenta zeroed out, time 71999.90 -Momenta zeroed out, time 72099.90 -Momenta zeroed out, time 72199.90 -Momenta zeroed out, time 72299.90 -Momenta zeroed out, time 72399.90 -Momenta zeroed out, time 72499.90 -Momenta zeroed out, time 72599.90 -Momenta zeroed out, time 72699.90 -Momenta zeroed out, time 72799.90 -Momenta zeroed out, time 72899.90 -Velocities reset to random values, time 72999.90 -Momenta zeroed out, time 72999.90 -Momenta zeroed out, time 73099.90 -Momenta zeroed out, time 73199.90 - acceleration/energy drift too large 10.0170763907631 - 14.0676770718192 split increased to Momenta zeroed out, time 73199.90 -Momenta zeroed out, time 73299.90 -Momenta zeroed out, time 73399.90 -Momenta zeroed out, time 73499.90 -Momenta zeroed out, time 73599.90 -Momenta zeroed out, time 73699.90 -Momenta zeroed out, time 73799.90 -Momenta zeroed out, time 73899.90 -Velocities reset to random values, time 73999.90 -Momenta zeroed out, time 73999.90 -Momenta zeroed out, time 74099.90 -Momenta zeroed out, time 74199.90 -Momenta zeroed out, time 74299.90 -Momenta zeroed out, time 74399.90 -Momenta zeroed out, time 74499.90 -Momenta zeroed out, time 74599.90 -Momenta zeroed out, time 74699.90 -Momenta zeroed out, time 74799.90 -Momenta zeroed out, time 74899.90 -Velocities reset to random values, time 74999.90 -Momenta zeroed out, time 74999.90 -Momenta zeroed out, time 75099.90 -Momenta zeroed out, time 75199.90 -Momenta zeroed out, time 75299.90 -Momenta zeroed out, time 75399.90 -Momenta zeroed out, time 75499.90 -Momenta zeroed out, time 75599.90 -Momenta zeroed out, time 75699.90 -Momenta zeroed out, time 75799.90 -Momenta zeroed out, time 75899.90 - acceleration/energy drift too large 6.13569716502020 - 13.4878161765984 split increased to 2 itime 759848 - itsplit Momenta zerVelocities reset to random values,Momenta zeroed out, time 76299.90 -Momenta zeroed out, time 76399.90 -Momenta zeroed out, time 76499.90 -Momenta zeroed out, time 76599.90 -Momenta zeroed out, time 76699.90 -Momenta zeroed out, time 76799.90 -Momenta zeroed out, time 76899.90 -Velocities reset to random values, time 76999.90 -Momenta zerMomenta zeroed out, time Momenta zerMomenta zeroed out, time Momenta zerVelocities reset to random values,Momenta zeroed out, time 77299.90 -Momenta zeroed out, time 77399.90 -Momenta zeroed out, time 77499.90 -Momenta zeroed out, time 77599.90 -Momenta zeroed out, time 77699.90 -Momenta zeroed out, time 77799.90 -Momenta zeroed out, time 77899.90 -Velocities reset to random values, time 77999.90 -Momenta zerMomenta zeroed out, time Momenta zerMomenta zeroed out, time Momenta zerVelocities reset to random values,Momenta zeroed out, time 78299.90 -Momenta zeroed out, time 78399.90 -Momenta zeroed out, time 78499.90 -Momenta zeroed out, time 78599.90 -Momenta zeroed out, time 78699.90 -Momenta zeroed out, time 78799.90 -Momenta zeroed out, time 78899.90 -Velocities reset to random values, time 78999.90 -Momenta zerMomenta zeroed out, time Momenta zerMomenta zeroed out, time Momenta zerVelocities reset to random values,Momenta zeroed out, time 79299.90 -Momenta zeroed out, time 79399.90 -Momenta zeroed out, time 79499.90 -Momenta zeroed out, time 79599.90 -Momenta zeroed out, time 79699.90 -Momenta zeroed out, time 79799.90 -Momenta zeroed out, time 79899.90 -Velocities reset to random values, time 79999.90 -Momenta zerMomenta zeroed out, time Momenta zerMomenta zeroed out, time Momenta zerVelocities reset to random values,Momenta zeroed out, time 80299.90 -Momenta zeroed out, time 80399.90 -Momenta zeroed out, time 80499.90 -Momenta zeroed out, time 80599.90 -Momenta zeroed out, time 80699.90 -Momenta zeroed out, time 80799.90 -Momenta zeroed out, time 80899.90 -Velocities reset to randomMomenta zeroed out, time 80699.90 -Momenta zeroed out, time 80799.90 -Momenta zeroed out, time 80899.90 -Velocities reset to random values, time 80999.90 -Momenta zeroed out,Momenta zeroed out, time Momenta zeroed out,Momenta zeroed out, time Momenta zeroed out, time 81199.90 -Momenta zeroed out, time 81299.90 -Momenta zeroed out, time 81399.90 -Momenta zeroed out, time 81499.90 -Momenta zeroed out, time 81599.90 -Momenta zeroed out, time 81699.90 -Momenta zeroed out, time 81799.90 -Momenta zeroed out, time 81899.90 -Velocities reset to random values, time 81999.90 -Momenta zeroed out, time 81999.90 -Momenta zeroed out, time 82099.90 -Momenta zeroed out, time 82199.90 -Momenta zeroed out, time 82299.90 -Momenta zeroed out, time 82399.90 -Momenta zeroed out, time 82499.90 -Momenta zeroed out, time 82599.90 -Momenta zeroed out, time 82699.90 -Momenta zeroed out, time 82799.90 -Momenta zeroed out, time 82899.90 -Velocities reset to random values, time 82999.90 -Momenta zeroed out, time 82999.90 -Momenta zeroed out, time 83099.90 -Momenta zeroed out, time 83199.90 -Momenta zeroed out, time 83299.90 -Momenta zeroed out, time 83399.90 -Momenta zeroed out, time 83499.90 -Momenta zeroed out, time 83599.90 -Momenta zeroed out, time 83699.90 -Momenta zeroed out, time 83799.90 -Momenta zeroed out, time 83899.90 -Velocities reset to random values, time 83999.90 -Momenta zeroed out, time 83999.90 -Momenta zeroed out, time 84099.90 -Momenta zeroed out, time 84199.90 -Momenta zeroed out, time 84299.90 -Momenta zeroed out, time 84399.90 -Momenta zeroed out, time 84499.90 -Momenta zeroed out, time 84599.90 -Momenta zeroed out, time 84699.90 -Momenta zeroed out, time 84799.90 -Momenta zeroed out, time 84899.90 -Velocities reset to random values, time 84999.90 -Momenta zeroed out, time 84999.90 -Momenta zeroed out, time 85099.90 -Momenta zeroed out, time 85199.90 -Momenta zeroed out, time 85299.90 -Momenta zeroed out, time 85399.90 -Momenta zeroed out, time 85499.90 -Momenta zeroed out, time 85599.90 -Momenta zeroed out, time 85699.90 -Momenta zeroed out, time 85799.90 -Momenta zeroed out, time 85899.90 -Velocities reset to random values, time 85999.90 -Momenta zeroed out, time 85999.90 -Momenta zeroed out, time 86099.90 -Momenta zeroed out, time 86199.90 -Momenta zeroed out, time 86299.90 -Momenta zeroed out, time 86399.90 - acceleration/energy drift too large 10.3879357431735 - 12.5183801324118 split increased to 2 itime 864636 + acceleration/energy drift too large 20.5331394431019 + 1.31601847767160 split increased to 2 itime 678541 itsplit 1 -Momenta zeroed out, time 86499.90 -Momenta zeroed out, time 86599.90 -Momenta zeroed out, time 86699.90 -Momenta zeroed out, time 86799.90 -Momenta zeroed out, time 86899.90 -Velocities reset to random values, time 86999.90 -Momenta zeroed out, time 86999.90 -Momenta zeroed out, time 87099.90 -Momenta zeroed out, time 87199.90 -Momenta zeroed out, time 87299.90 -Momenta zeroed out, time 87399.90 -Momenta zeroed out, time 87499.90 -Momenta zeroed out, time 87599.90 -Momenta zeroed out, time 87699.90 -Momenta zeroed out, time 87799.90 -Momenta zeroed out, time 87899.90 -Velocities reset to random values, time 87999.90 -Momenta zeroed out, time 87999.90 -Momenta zeroed out, time 88099.90 -Momenta zeroed out, time 88199.90 -Momenta zeroed out, time 88299.90 -Momenta zeroed out, time 88399.90 -Momenta zeroed out, time 88499.90 -Momenta zeroed out, time 88599.90 -Momenta zeroed out, time 88699.90 -Momenta zeroed out, time 88799.90 -Momenta zeroed out, time 88899.90 -Velocities reset to random values, time 88999.90 -Momenta zeroed out, time 88999.90 - acceleration/energy drift too large 9.06007402796256 - 11.3587332805837 split increased to 2 itime 890425 + acceleration/energy drift too large 22.9848227656450 + 0.647540416171181 split increased to 2 itime 708066 itsplit 1 -Momenta zeroed out, time 89099.90 -Momenta zeroed out, time 89199.90 -Momenta zeroed out, time 89299.90 -Momenta zeroed out, time 89399.90 -Momenta zeroed out, time 89499.90 -Momenta zeroed out, time 89599.90 -Momenta zeroed out, time 89699.90 -Momenta zeroed out, time 89799.90 -Momenta zeroed out, time 89899.90 -Velocities reset to random values, time 89999.90 -Momenta zeroed out, time 89999.90 -Momenta zeroed out, time 90099.90 - acceleration/energy drift too large 7.52281367786442 - 22.7186482742590 split increased to 2 itime 901855 + acceleration/energy drift too large 25.0162156562018 + 1.04795930695230 split increased to 2 itime 709650 itsplit 1 -Momenta zeroed out, time 90199.90 -Momenta zeroed out, time 90299.90 -Momenta zeroed out, time 90399.90 -Momenta zeroed out, time 90499.90 -Momenta zeroed out, time 90599.90 -Momenta zeroed out, time 90699.90 -Momenta zeroed out, time 90799.90 -Momenta zeroed out, time 90899.90 -Velocities reset to random values, time 90999.90 -Momenta zeroed out, time 90999.90 -Momenta zeroed out, time 91099.90 -Momenta zeroed out, time 91199.90 -Momenta zeroed out, time 91299.90 -Momenta zeroed out, time 91399.90 -Momenta zeroed out, time 91499.90 -Momenta zeroed out, time 91599.90 -Momenta zeroed out, time 91699.90 -Momenta zeroed out, time 91799.90 -Momenta zeroed out, time 91899.90 -Velocities reset to random values, time 91999.90 -Momenta zeroed out, time 91999.90 -Momenta zeroed out, time 92099.90 -Momenta zeroed out, time 92199.90 -Momenta zeroed out, time 92299.90 -Momenta zeroed out, time 92399.90 -Momenta zeroed out, time 92499.90 -Momenta zeroed out, time 92599.90 -Momenta zeroed out, time 92699.90 -Momenta zeroed out, time 92799.90 -Momenta zeroed out, time 92899.90 -Velocities reset to random values, time 92999.90 -Momenta zeroed out, time 92999.90 -Momenta zeroed out, time 93099.90 -Momenta zeroed out, time 93199.90 -Momenta zeroed out, time 93299.90 -Momenta zeroed out, time 93399.90 -Momenta zeroed out, time 93499.90 -Momenta zeroed out, time 93599.90 -Momenta zeroed out, time 93699.90 -Momenta zeroed out, time 93799.90 -Momenta zeroed out, time 93899.90 -Velocities reset to random values, time 93999.90 -Momenta zeroed out, time 93999.90 -Momenta zeroed out, time 94099.90 -Momenta zeroed out, time 94199.90 -Momenta zeroed out, time 94299.90 -Momenta zeroed out, time 94399.90 -Momenta zeroed out, time 94499.90 -Momenta zeroed out, time 94599.90 -Momenta zeroed out, time 94699.90 -Momenta zeroed out, time 94799.90 -Momenta zeroed out, time 94899.90 -Velocities reset to random values, time 94999.90 -Momenta zeroed out, time 94999.90 -Momenta zeroed out, time 95099.90 -Momenta zeroed out, time 95199.90 -Momenta zeroed out, time 95299.90 -Momenta zeroed out, time 95399.90 -Momenta zeroed out, time 95499.90 -Momenta zeroed out, time 95599.90 -Momenta zeroed out, time 95699.90 -Momenta zeroed out, time 95799.90 -Momenta zeroed out, time 95899.90 -Velocities reset to random values, time 95999.90 -Momenta zeroed out, time 95999.90 -Momenta zeroed out, time 96099.90 -Momenta zeroed out, time 96199.90 -Momenta zeroed out, time 96299.90 -Momenta zeroed out, time 96399.90 -Momenta zeroed out, time 96499.90 -Momenta zeroed out, time 96599.90 -Momenta zeroed out, time 96699.90 -Momenta zeroed out, time 96799.90 -Momenta zeroed out, time 96899.90 -Velocities reset to random values, time 96999.90 -Momenta zeroed out, time 96999.90 -Momenta zeroed out, time 97099.90 -Momenta zeroed out, time 97199.90 -Momenta zeroed out, time 97299.90 -Momenta zeroed out, time 97399.90 -Momenta zeroed out, time 97499.90 -Momenta zeroed out, time 97599.90 -Momenta zeroed out, time 97699.90 -Momenta zeroed out, time 97799.90 -Momenta zeroed out, time 97899.90 -Velocities reset to random values, time 97999.90 -Momenta zeroed out, time 97999.90 -Momenta zeroed out, time 98099.90 -Momenta zeroed out, time 98199.90 -Momenta zeroed out, time 98299.90 -Momenta zeroed out, time 98399.90 -Momenta zeroed out, time 98499.90 -Momenta zeroed out, time 98599.90 -Momenta zeroed out, time 98699.90 -Momenta zeroed out, time 98799.90 -Momenta zeroed out, time 98899.90 -Velocities reset to random values, time 98999.90 -Momenta zeroed out, time 98999.90 -Momenta zeroed out, time 99099.90 -Momenta zeroed out, time 99199.90 -Momenta zeroed out, time 99299.90 -Momenta zeroed out, time 99399.90 -Momenta zeroed out, time 99499.90 -Momenta zeroed out, time 99599.90 -Momenta zeroed out, time 99699.90 -Momenta zeroed out, time 99799.90 -Momenta zeroed out, time 99899.90 -Velocities reset to random values, time 99999.90 -Momenta zeroed out, time 99999.90 + acceleration/energy drift too large 44.3224791137547 + 1.68588717052449 split increased to 2 itime 800155 + itsplit 1 + acceleration/energy drift too large 25.9586027154641 + 1.14102074935945 split increased to 2 itime 812029 + itsplit 1 + acceleration/energy drift too large 33.2466826301064 + 1.00876559858637 split increased to 2 itime 892115 + itsplit 1 + acceleration/energy drift too large 164.003664699874 + 20.5145028875856 split increased to 2 itime 930145 + itsplit 1 + + +=================================== Timing =================================== + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.49918E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + =================================== Timing =================================== MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 3.08855E+02 + Energy & gradient evaluation: 3.50855E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.79402E+02 + + +============================ End of MD calculation =========================== + 7.81250E-03 + Energy & gradient evaluation: 3.47789E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.27176E+02 + MD steps: 3.76191E+02 ============================ End of MD calculation =========================== -98999.90 -Momenta zeroed out, time 99099.90 -Momenta zeroed out, time 99199.90 - acceleration/energy drift too large 9.12586406008590 - 10.2724657242954 split increased to 2 itime 992846 + 942496 itsplit 1 -Momenta zeroed out, time 99299.90 -Momenta zeroed out, time 99399.90 -Momenta zeroed out, time 99499.90 -Momenta zeroed out, time 99599.90 -Momenta zeroed out, time 99699.90 -Momenta zeroed out, time 99799.90 -Momenta zeroed out, time 99899.90 -Velocities reset to random values, time 99999.90 -Momenta zeroed out, time 99999.90 =================================== Timing =================================== MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 3.10367E+02 + Energy & gradient evaluation: 3.55586E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.28727E+02 + MD steps: 3.84367E+02 ============================ End of MD calculation =========================== -setup: 0.00000E+00 - MD steps: 3.25055E+02 + 1.17188E-02 + Energy & gradient evaluation: 3.50984E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.79457E+02 ============================ End of MD calculation =========================== -t, time 99399.90 -Momenta zeroed out, time 99499.90 -Momenta zeroed out, time 99599.90 -Momenta zeroed out, time 99699.90 -Momenta zeroed out, time 99799.90 -Momenta zeroed out, time 99899.90 -Velocities reset to random values, time 99999.90 -Momenta zeroed out, time 99999.90 + 948974 + itsplit 1 =================================== Timing =================================== MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 3.07465E+02 + Energy & gradient evaluation: 3.50109E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 3.78668E+02 + + +============================ End of MD calculation =========================== + 976274 + itsplit 1 + + +=================================== Timing =================================== + + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.53207E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.26270E+02 + MD steps: 3.82863E+02 ============================ End of MD calculation ===========================