mirror of https://github.com/QMCPACK/qmcpack.git
7 lines
4.4 KiB
Plaintext
7 lines
4.4 KiB
Plaintext
# index LocalEnergy LocalEnergy_sq LocalPotential Kinetic LocalECP NonLocalECP ElecElec IonIon ACForce_hf_0_0 ACForce_pulay_0_0 ACForce_Ewfgrad_0_0 ACForce_wfgrad_0_0 ACForce_hf_0_1 ACForce_pulay_0_1 ACForce_Ewfgrad_0_1 ACForce_wfgrad_0_1 ACForce_hf_0_2 ACForce_pulay_0_2 ACForce_Ewfgrad_0_2 ACForce_wfgrad_0_2 ACForce_hf_1_0 ACForce_pulay_1_0 ACForce_Ewfgrad_1_0 ACForce_wfgrad_1_0 ACForce_hf_1_1 ACForce_pulay_1_1 ACForce_Ewfgrad_1_1 ACForce_wfgrad_1_1 ACForce_hf_1_2 ACForce_pulay_1_2 ACForce_Ewfgrad_1_2 ACForce_wfgrad_1_2 BlockWeight BlockCPU AcceptRatio
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0 -1.5155430894e+01 2.2983322100e+02 -2.7110980055e+01 1.1955549161e+01 -5.5173927905e+01 9.9493430214e-01 1.7446609016e+01 9.6214045316e+00 1.4498512325e-01 0.0000000000e+00 4.1083923785e+00 -2.8394474151e-01 2.4609504440e-01 0.0000000000e+00 -7.2969568682e+00 4.8026393924e-01 4.1592998695e+00 0.0000000000e+00 1.7242683833e+01 -1.1419320679e+00 4.8827641416e-01 0.0000000000e+00 -2.2722145764e+00 1.3124129282e-01 -7.2570223498e-02 0.0000000000e+00 -2.1103172123e+00 1.4078928443e-01 -4.7333669475e+00 0.0000000000e+00 -3.1700775711e+01 2.1043683244e+00 1.6000000000e+01 1.8659686250e-03 6.7638888889e-01
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1 -1.5340791312e+01 2.3559887552e+02 -3.0177360662e+01 1.4836569350e+01 -6.0434600773e+01 1.9255619460e+00 1.8710273633e+01 9.6214045316e+00 -4.6870330965e-01 0.0000000000e+00 2.1155322690e-02 -8.4574797717e-03 3.4721272755e-01 0.0000000000e+00 -4.3983469423e+00 2.9072253816e-01 4.5161357915e+00 0.0000000000e+00 3.0288838227e+01 -1.9549044401e+00 8.7257417058e-01 0.0000000000e+00 4.9208374444e+00 -3.1541359365e-01 -5.7906370678e-01 0.0000000000e+00 -6.5245948291e+00 4.0195707999e-01 -3.5731935418e+00 0.0000000000e+00 -3.1512214858e+01 2.0406716829e+00 1.6000000000e+01 1.9513220625e-03 6.6111111111e-01
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2 -1.5423393998e+01 2.3803299603e+02 -2.5582459247e+01 1.0159065249e+01 -5.4764712542e+01 1.5197577271e+00 1.8041091036e+01 9.6214045316e+00 2.7865700385e-02 0.0000000000e+00 1.8366019177e+00 -1.2306379607e-01 3.9186524885e-01 0.0000000000e+00 1.7919863318e+00 -1.4863705334e-01 4.3791751782e+00 0.0000000000e+00 3.0463003420e+01 -1.9800735850e+00 5.1449059164e-01 0.0000000000e+00 -2.5966074025e+00 1.5411072684e-01 -2.9352579768e-01 0.0000000000e+00 2.1682590698e+00 -1.6875249194e-01 -4.7964287241e+00 0.0000000000e+00 -2.9662189955e+01 1.9310902981e+00 1.6000000000e+01 1.8248820000e-03 6.4583333333e-01
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3 -1.5331152754e+01 2.3534486296e+02 -2.6749386730e+01 1.1418233976e+01 -5.8430002514e+01 2.7447040607e+00 1.9314507192e+01 9.6214045316e+00 4.9596981096e-01 0.0000000000e+00 3.0856553731e+00 -2.1721794682e-01 -9.0889943003e-02 0.0000000000e+00 1.8859365204e+00 -1.0890603203e-01 3.2089358074e+00 0.0000000000e+00 3.2630899825e+01 -2.1103226654e+00 -1.3050646823e-01 0.0000000000e+00 2.5183236513e+00 -1.8286156069e-01 -2.0919064127e-01 0.0000000000e+00 8.1947131920e+00 -5.1973226705e-01 -4.1531837349e+00 0.0000000000e+00 -2.9880010514e+01 1.9431287624e+00 1.6000000000e+01 1.8276174375e-03 6.3194444444e-01
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4 -1.5586712248e+01 2.4465253579e+02 -2.8321613273e+01 1.2734901025e+01 -5.7966334898e+01 1.8493765281e+00 1.8173940566e+01 9.6214045316e+00 4.9376340185e-01 0.0000000000e+00 -4.2101117647e+00 3.0004600095e-01 3.5860558777e-01 0.0000000000e+00 2.3849276626e+00 -1.8114010291e-01 5.2288476311e+00 0.0000000000e+00 2.4542220430e+01 -1.5614748618e+00 1.1912085227e+00 0.0000000000e+00 -8.1699621441e+00 3.3676305176e-01 4.7645447170e+00 0.0000000000e+00 -1.7347544391e+01 8.3752812817e-01 -4.1953731361e-02 0.0000000000e+00 -4.6649081780e+01 2.6949237554e+00 1.6000000000e+01 1.9072024375e-03 6.5833333333e-01
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