qmcpack/tests/molecules/H4_ae/batched-hybrid_ref/hybrid_ref.s009.scalar.dat

202 lines
41 KiB
Plaintext

# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic ElecElec IonElec IonIon BlockWeight BlockCPU AcceptRatio
0 -2.1056410854e+00 4.8621732415e+00 -4.1362970409e+00 2.0306559555e+00 1.8215445212e+00 -7.8298561568e+00 1.8720145947e+00 8.0000000000e+04 6.0592079498e+00 9.8821875000e-01
1 -2.1136685093e+00 4.9057288108e+00 -4.1282759035e+00 2.0146073942e+00 1.8295556419e+00 -7.8298461401e+00 1.8720145947e+00 8.0000000000e+04 6.0496221259e+00 9.8809375000e-01
2 -2.0997381176e+00 4.8513229406e+00 -4.1106916477e+00 2.0109535301e+00 1.8075021153e+00 -7.7902083576e+00 1.8720145947e+00 8.0000000000e+04 6.0479574185e+00 9.8806562500e-01
3 -2.1121860719e+00 4.8876395302e+00 -4.1055159365e+00 1.9933298647e+00 1.8237467981e+00 -7.8012773293e+00 1.8720145947e+00 8.0000000000e+04 6.0483665708e+00 9.8781562500e-01
4 -2.1084573780e+00 4.8727293498e+00 -4.1266885586e+00 2.0182311807e+00 1.8223388007e+00 -7.8210419540e+00 1.8720145947e+00 8.0000000000e+04 6.0494684037e+00 9.8812500000e-01
5 -2.0921191355e+00 4.7966663043e+00 -4.1053513158e+00 2.0132321803e+00 1.8212775134e+00 -7.7986434239e+00 1.8720145947e+00 8.0000000000e+04 6.0500858650e+00 9.8751250000e-01
6 -2.0970224379e+00 4.8230580989e+00 -4.1119306722e+00 2.0149082344e+00 1.8137560924e+00 -7.7977013593e+00 1.8720145947e+00 8.0000000000e+04 6.0517648570e+00 9.8753437500e-01
7 -2.0956043639e+00 4.8202915481e+00 -4.0884626457e+00 1.9928582818e+00 1.8084571142e+00 -7.7689343545e+00 1.8720145947e+00 8.0000000000e+04 6.0519384369e+00 9.8776250000e-01
8 -2.0997069021e+00 4.8231651523e+00 -4.1150331397e+00 2.0153262376e+00 1.8235387280e+00 -7.8105864624e+00 1.8720145947e+00 8.0000000000e+04 6.0501291398e+00 9.8756875000e-01
9 -2.0945010858e+00 4.8189024038e+00 -4.1168882015e+00 2.0223871157e+00 1.8143165655e+00 -7.8032193617e+00 1.8720145947e+00 8.0000000000e+04 6.0517430957e+00 9.8775937500e-01
10 -2.1085015190e+00 4.8728959843e+00 -4.1559442370e+00 2.0474427180e+00 1.8273181769e+00 -7.8552770086e+00 1.8720145947e+00 8.0000000000e+04 6.0525488816e+00 9.8784062500e-01
11 -2.1063931453e+00 4.8604556892e+00 -4.1108756323e+00 2.0044824870e+00 1.8246768966e+00 -7.8075671236e+00 1.8720145947e+00 8.0000000000e+04 6.0518999621e+00 9.8830312500e-01
12 -2.1087959077e+00 4.8689978527e+00 -4.1539483672e+00 2.0451524594e+00 1.8276685439e+00 -7.8536315057e+00 1.8720145947e+00 8.0000000000e+04 6.0509810243e+00 9.8810937500e-01
13 -2.1104398110e+00 4.8825904889e+00 -4.1037513398e+00 1.9933115288e+00 1.8112553814e+00 -7.7870213158e+00 1.8720145947e+00 8.0000000000e+04 6.0501245447e+00 9.8799687500e-01
14 -2.1044489084e+00 4.8484317487e+00 -4.0959789104e+00 1.9915300021e+00 1.8227846216e+00 -7.7907781266e+00 1.8720145947e+00 8.0000000000e+04 6.0497749411e+00 9.8829375000e-01
15 -2.1102645548e+00 4.8763942093e+00 -4.1018017851e+00 1.9915372303e+00 1.8085762178e+00 -7.7823925976e+00 1.8720145947e+00 8.0000000000e+04 6.0496622510e+00 9.8828750000e-01
16 -2.1147312943e+00 4.9057499907e+00 -4.1407899006e+00 2.0260586063e+00 1.8202111615e+00 -7.8330156567e+00 1.8720145947e+00 8.0000000000e+04 6.0577391684e+00 9.8788437500e-01
17 -2.1242967030e+00 4.9446119291e+00 -4.1479690164e+00 2.0236723134e+00 1.8159372934e+00 -7.8359209045e+00 1.8720145947e+00 8.0000000000e+04 6.0667003561e+00 9.8789062500e-01
18 -2.1001440012e+00 4.8352162777e+00 -4.1306467449e+00 2.0305027437e+00 1.8160147950e+00 -7.8186761345e+00 1.8720145947e+00 8.0000000000e+04 6.0591585282e+00 9.8796875000e-01
19 -2.1084496456e+00 4.8822125381e+00 -4.1389208887e+00 2.0304712432e+00 1.8235087671e+00 -7.8344442504e+00 1.8720145947e+00 8.0000000000e+04 6.0591090117e+00 9.8760937500e-01
20 -2.1078858939e+00 4.8742642513e+00 -4.1244954327e+00 2.0166095388e+00 1.8258350619e+00 -7.8223450893e+00 1.8720145947e+00 8.0000000000e+04 6.0597231183e+00 9.8780937500e-01
21 -2.0912501918e+00 4.7994884913e+00 -4.0740204220e+00 1.9827702302e+00 1.8234655820e+00 -7.7695005987e+00 1.8720145947e+00 8.0000000000e+04 6.0614455324e+00 9.8807187500e-01
22 -2.0996971188e+00 4.8382715477e+00 -4.0680764024e+00 1.9683792836e+00 1.8277278274e+00 -7.7678188244e+00 1.8720145947e+00 8.0000000000e+04 6.0635595955e+00 9.8818125000e-01
23 -2.1032976729e+00 4.8431537342e+00 -4.0842897385e+00 1.9809920656e+00 1.8268370051e+00 -7.7831413382e+00 1.8720145947e+00 8.0000000000e+04 6.0620623194e+00 9.8849687500e-01
24 -2.1168192500e+00 4.9046096249e+00 -4.1388901310e+00 2.0220708810e+00 1.8269980937e+00 -7.8379028193e+00 1.8720145947e+00 8.0000000000e+04 6.0618241802e+00 9.8810000000e-01
25 -2.1078820383e+00 4.8697537384e+00 -4.1756895751e+00 2.0678075368e+00 1.8220794301e+00 -7.8697835999e+00 1.8720145947e+00 8.0000000000e+04 6.0611490346e+00 9.8794375000e-01
26 -2.1005748281e+00 4.8413549990e+00 -4.1542054493e+00 2.0536306213e+00 1.8240484752e+00 -7.8502685192e+00 1.8720145947e+00 8.0000000000e+04 6.0613116790e+00 9.8786562500e-01
27 -2.0980938582e+00 4.8313386213e+00 -4.1078060498e+00 2.0097121916e+00 1.8301470814e+00 -7.8099677258e+00 1.8720145947e+00 8.0000000000e+04 6.0600600764e+00 9.8838750000e-01
28 -2.1151046796e+00 4.8989202520e+00 -4.0843724785e+00 1.9692677989e+00 1.8319339234e+00 -7.7883209966e+00 1.8720145947e+00 8.0000000000e+04 6.0598415695e+00 9.8836562500e-01
29 -2.0939881270e+00 4.8096566830e+00 -4.0706476153e+00 1.9766594882e+00 1.8130939499e+00 -7.7557561598e+00 1.8720145947e+00 8.0000000000e+04 6.0564869624e+00 9.8779375000e-01
30 -2.1016430646e+00 4.8397577349e+00 -4.1051408052e+00 2.0034977406e+00 1.8189455075e+00 -7.7961009073e+00 1.8720145947e+00 8.0000000000e+04 6.0563549995e+00 9.8796250000e-01
31 -2.0949767432e+00 4.8176532639e+00 -4.1088163913e+00 2.0138396481e+00 1.8324926040e+00 -7.8133235900e+00 1.8720145947e+00 8.0000000000e+04 6.0522275046e+00 9.8807187500e-01
32 -2.1129112203e+00 4.9004217379e+00 -4.1524948123e+00 2.0395835921e+00 1.8246676454e+00 -7.8491770524e+00 1.8720145947e+00 8.0000000000e+04 6.0562791321e+00 9.8827812500e-01
33 -2.1058742592e+00 4.8599466543e+00 -4.1059136111e+00 2.0000393519e+00 1.8132701215e+00 -7.7911983272e+00 1.8720145947e+00 8.0000000000e+04 6.0525025558e+00 9.8809687500e-01
34 -2.1029356297e+00 4.8539147571e+00 -4.1037948313e+00 2.0008592015e+00 1.8219657825e+00 -7.7977752084e+00 1.8720145947e+00 8.0000000000e+04 6.0539092589e+00 9.8802187500e-01
35 -2.0931640483e+00 4.7980313107e+00 -4.1260287204e+00 2.0328646721e+00 1.8225996783e+00 -7.8206429933e+00 1.8720145947e+00 8.0000000000e+04 6.0505381022e+00 9.8772812500e-01
36 -2.1075884598e+00 4.8614450987e+00 -4.1035623797e+00 1.9959739199e+00 1.8205219319e+00 -7.7960989063e+00 1.8720145947e+00 8.0000000000e+04 6.0535745192e+00 9.8792187500e-01
37 -2.1112744221e+00 4.8876873223e+00 -4.1176242765e+00 2.0063498544e+00 1.8215335400e+00 -7.8111724112e+00 1.8720145947e+00 8.0000000000e+04 6.0522765908e+00 9.8793437500e-01
38 -2.1035226233e+00 4.8425166476e+00 -4.1046737875e+00 2.0011511642e+00 1.8265078889e+00 -7.8031962711e+00 1.8720145947e+00 8.0000000000e+04 6.0504997950e+00 9.8811562500e-01
39 -2.0916485743e+00 4.8041682265e+00 -4.0607564086e+00 1.9691078343e+00 1.8080017864e+00 -7.7407727897e+00 1.8720145947e+00 8.0000000000e+04 6.0530445818e+00 9.8812812500e-01
40 -2.1060495864e+00 4.8488795598e+00 -4.1359279799e+00 2.0298783936e+00 1.8150532940e+00 -7.8229958686e+00 1.8720145947e+00 8.0000000000e+04 6.0551633518e+00 9.8795312500e-01
41 -2.1020079858e+00 4.8309339419e+00 -4.0937710332e+00 1.9917630474e+00 1.8111670025e+00 -7.7769526304e+00 1.8720145947e+00 8.0000000000e+04 6.0538820643e+00 9.8777187500e-01
42 -2.1015991706e+00 4.8372050096e+00 -4.0891040123e+00 1.9875048417e+00 1.8008793651e+00 -7.7619979720e+00 1.8720145947e+00 8.0000000000e+04 6.0515725762e+00 9.8783437500e-01
43 -2.1189397919e+00 4.9235846677e+00 -4.1020879078e+00 1.9831481159e+00 1.8122764367e+00 -7.7863789392e+00 1.8720145947e+00 8.0000000000e+04 6.0521639884e+00 9.8805000000e-01
44 -2.1147260943e+00 4.9027608765e+00 -4.1102046619e+00 1.9954785676e+00 1.8394182923e+00 -7.8216375489e+00 1.8720145947e+00 8.0000000000e+04 6.0532176718e+00 9.8821562500e-01
45 -2.0966769781e+00 4.8218072033e+00 -4.1097383163e+00 2.0130613383e+00 1.8134677194e+00 -7.7952206304e+00 1.8720145947e+00 8.0000000000e+04 6.0528227650e+00 9.8787812500e-01
46 -2.0934621210e+00 4.8185951951e+00 -4.1118978784e+00 2.0184357574e+00 1.8266093667e+00 -7.8105218397e+00 1.8720145947e+00 8.0000000000e+04 6.0506722070e+00 9.8750000000e-01
47 -2.1087636191e+00 4.8726173184e+00 -4.1328246453e+00 2.0240610262e+00 1.8059231627e+00 -7.8107624027e+00 1.8720145947e+00 8.0000000000e+04 6.0556008425e+00 9.8820312500e-01
48 -2.0998074224e+00 4.8351386836e+00 -4.1295996197e+00 2.0297921973e+00 1.8342176162e+00 -7.8358318306e+00 1.8720145947e+00 8.0000000000e+04 6.0532065015e+00 9.8801562500e-01
49 -2.1051444933e+00 4.8548253786e+00 -4.1587076108e+00 2.0535631174e+00 1.8283220761e+00 -7.8590442815e+00 1.8720145947e+00 8.0000000000e+04 6.0569936838e+00 9.8774062500e-01
50 -2.1028312722e+00 4.8537611059e+00 -4.1335825924e+00 2.0307513202e+00 1.8140859384e+00 -7.8196831255e+00 1.8720145947e+00 8.0000000000e+04 6.0536387190e+00 9.8808437500e-01
51 -2.1037586910e+00 4.8467497042e+00 -4.0692290596e+00 1.9654703686e+00 1.8227027643e+00 -7.7639464185e+00 1.8720145947e+00 8.0000000000e+04 6.0521019846e+00 9.8842812500e-01
52 -2.1089663947e+00 4.8706573207e+00 -4.1245463617e+00 2.0155799670e+00 1.8151410680e+00 -7.8117020243e+00 1.8720145947e+00 8.0000000000e+04 6.0555179324e+00 9.8787500000e-01
53 -2.1173836387e+00 4.9063566880e+00 -4.1435873129e+00 2.0262036742e+00 1.8303877254e+00 -7.8459896330e+00 1.8720145947e+00 8.0000000000e+04 6.0491123870e+00 9.8807812500e-01
54 -2.0935226540e+00 4.8098387683e+00 -4.1083735382e+00 2.0148508842e+00 1.8248901473e+00 -7.8052782802e+00 1.8720145947e+00 8.0000000000e+04 6.0516942069e+00 9.8822812500e-01
55 -2.1197892383e+00 4.9273001124e+00 -4.0778504215e+00 1.9580611833e+00 1.8142264952e+00 -7.7640915114e+00 1.8720145947e+00 8.0000000000e+04 6.0521812867e+00 9.8838125000e-01
56 -2.1070565164e+00 4.8663878356e+00 -4.1407966907e+00 2.0337401743e+00 1.8146721870e+00 -7.8274834723e+00 1.8720145947e+00 8.0000000000e+04 6.0549587682e+00 9.8785000000e-01
57 -2.1047005824e+00 4.8513993943e+00 -4.1077411558e+00 2.0030405734e+00 1.8077469467e+00 -7.7875026972e+00 1.8720145947e+00 8.0000000000e+04 6.0527369641e+00 9.8815625000e-01
58 -2.0917918859e+00 4.8046673155e+00 -4.1619672846e+00 2.0701753986e+00 1.8283158631e+00 -7.8622977423e+00 1.8720145947e+00 8.0000000000e+04 6.0554405693e+00 9.8815312500e-01
59 -2.1058759540e+00 4.8570403549e+00 -4.1161847890e+00 2.0103088350e+00 1.8346656357e+00 -7.8228650194e+00 1.8720145947e+00 8.0000000000e+04 6.0509624220e+00 9.8800312500e-01
60 -2.1050814568e+00 4.8605141466e+00 -4.1131692506e+00 2.0080877938e+00 1.8274227688e+00 -7.8126066140e+00 1.8720145947e+00 8.0000000000e+04 6.0539146066e+00 9.8773125000e-01
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62 -2.1138306258e+00 4.8944990027e+00 -4.0858298580e+00 1.9719992322e+00 1.7993592986e+00 -7.7572037513e+00 1.8720145947e+00 8.0000000000e+04 6.0540105645e+00 9.8803125000e-01
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78 -2.1117425002e+00 4.8796531311e+00 -4.1372336408e+00 2.0254911405e+00 1.8223586281e+00 -7.8316068635e+00 1.8720145947e+00 8.0000000000e+04 6.0480726771e+00 9.8845625000e-01
79 -2.1196946787e+00 4.9166775828e+00 -4.1317578988e+00 2.0120632201e+00 1.8094609526e+00 -7.8132334460e+00 1.8720145947e+00 8.0000000000e+04 6.0554738846e+00 9.8798125000e-01
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81 -2.1022610709e+00 4.8509141754e+00 -4.0691680451e+00 1.9669069741e+00 1.8137230856e+00 -7.7549057253e+00 1.8720145947e+00 8.0000000000e+04 6.0523497760e+00 9.8809687500e-01
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