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Unverified Commit 9e7baa6e authored by Farhad Ramezanghorbani's avatar Farhad Ramezanghorbani Committed by GitHub
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Download Built-in model parameters from ASE_ANI (#481) 

* download resources from ASE_ANI

* update gitignore

* get resources with request

* fix flke8

* rm svn checkout for resources

* update

* fix flake8
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torchani/resources/ani-1ccx_8x/train4/networks/ANN-O.nnf-l3.bparam deleted 100644 → 0
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torchani/resources/ani-1ccx_8x/train4/output.opt deleted 100644 → 0
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torchani/resources/ani-1ccx_8x/train4/rHCNO-5.2R_16-3.5A_a4-8.params deleted 100644 → 0
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TM = 1
Rcr = 5.2000e+00
Rca = 3.5000e+00
EtaR = [1.6000000e+01]
ShfR = [9.0000000e-01,1.1687500e+00,1.4375000e+00,1.7062500e+00,1.9750000e+00,2.2437500e+00,2.5125000e+00,2.7812500e+00,3.0500000e+00,3.3187500e+00,3.5875000e+00,3.8562500e+00,4.1250000e+00,4.3937500e+00,4.6625000e+00,4.9312500e+00]
Zeta = [3.2000000e+01]
ShfZ = [1.9634954e-01,5.8904862e-01,9.8174770e-01,1.3744468e+00,1.7671459e+00,2.1598449e+00,2.5525440e+00,2.9452431e+00]
EtaA = [8.0000000e+00]
ShfA = [9.0000000e-01,1.5500000e+00,2.2000000e+00,2.8500000e+00]
Atyp = [H,C,N,O]
torchani/resources/ani-1ccx_8x/train4/sae_linfit.dat deleted 100644 → 0
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H,0=-0.5991501324919538
C,1=-38.03750806057356
N,2=-54.67448347695333
O,3=-75.16043537275567
torchani/resources/ani-1ccx_8x/train4/tolerance.dat deleted 100644 → 0
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torchani/resources/ani-1ccx_8x/train5/cost.dat deleted 100644 → 0
View file @ e08bb3d5
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1851 9.23411e-06 2.28515e-05 1.50836e-05 1.79769e+308 2.4371 inf
1852 9.04591e-06 1.73328e-05 1.50836e-05 1.79769e+308 2.4371 inf
1853 9.13657e-06 1.58783e-05 1.50836e-05 1.79769e+308 2.4371 inf
1854 9.47047e-06 1.69364e-05 1.50836e-05 1.79769e+308 2.4371 inf
1855 9.13399e-06 1.69087e-05 1.50836e-05 1.79769e+308 2.4371 inf
1856 9.02583e-06 1.65501e-05 1.50836e-05 1.79769e+308 2.4371 inf
1857 8.9911e-06 1.72541e-05 1.50836e-05 1.79769e+308 2.4371 inf
1858 9.14704e-06 1.73148e-05 1.50836e-05 1.79769e+308 2.4371 inf
1859 9.06036e-06 1.68327e-05 1.50836e-05 1.79769e+308 2.4371 inf
1860 9.45068e-06 1.63561e-05 1.50836e-05 1.79769e+308 2.4371 inf
1861 9.60088e-06 2.06065e-05 1.50836e-05 1.79769e+308 2.4371 inf
1862 9.07829e-06 1.67602e-05 1.50836e-05 1.79769e+308 2.4371 inf
1863 9.17354e-06 1.85932e-05 1.50836e-05 1.79769e+308 2.4371 inf
1864 9.03147e-06 1.64785e-05 1.50836e-05 1.79769e+308 2.4371 inf
1865 9.26215e-06 1.74617e-05 1.50836e-05 1.79769e+308 2.4371 inf
1866 9.27009e-06 2.45029e-05 1.50836e-05 1.79769e+308 2.4371 inf
1867 9.2158e-06 1.83964e-05 1.50836e-05 1.79769e+308 2.4371 inf
1868 9.14017e-06 1.59341e-05 1.50836e-05 1.79769e+308 2.4371 inf
1869 9.18946e-06 2.34834e-05 1.50836e-05 1.79769e+308 2.4371 inf
1870 9.21041e-06 1.64812e-05 1.50836e-05 1.79769e+308 2.4371 inf
1871 9.57349e-06 1.63471e-05 1.50836e-05 1.79769e+308 2.4371 inf
1872 9.03771e-06 1.57405e-05 1.50836e-05 1.79769e+308 2.4371 inf
1873 9.22369e-06 1.79918e-05 1.50836e-05 1.79769e+308 2.4371 inf
1874 9.22021e-06 1.70619e-05 1.50836e-05 1.79769e+308 2.4371 inf
1875 9.2737e-06 1.75054e-05 1.50836e-05 1.79769e+308 2.4371 inf
1876 8.89807e-06 1.6211e-05 1.50836e-05 1.79769e+308 2.4371 inf
1877 9.16312e-06 1.79508e-05 1.50836e-05 1.79769e+308 2.4371 inf
1878 9.28896e-06 1.54434e-05 1.50836e-05 1.79769e+308 2.4371 inf
1879 8.93172e-06 1.66039e-05 1.50836e-05 1.79769e+308 2.4371 inf
1880 9.20857e-06 1.59754e-05 1.50836e-05 1.79769e+308 2.4371 inf
1881 9.14924e-06 1.68103e-05 1.50836e-05 1.79769e+308 2.4371 inf
1882 9.24123e-06 1.79104e-05 1.50836e-05 1.79769e+308 2.4371 inf
1883 9.52075e-06 1.70127e-05 1.50836e-05 1.79769e+308 2.4371 inf
1884 9.57359e-06 1.68898e-05 1.50836e-05 1.79769e+308 2.4371 inf
1885 9.22921e-06 1.81511e-05 1.50836e-05 1.79769e+308 2.4371 inf
1886 9.11781e-06 1.61908e-05 1.50836e-05 1.79769e+308 2.4371 inf
1887 9.73617e-06 1.66235e-05 1.50836e-05 1.79769e+308 2.4371 inf
1888 9.41835e-06 1.65893e-05 1.50836e-05 1.79769e+308 2.4371 inf
1889 9.56806e-06 1.82202e-05 1.50836e-05 1.79769e+308 2.4371 inf
1890 9.24666e-06 1.75956e-05 1.50836e-05 1.79769e+308 2.4371 inf
1891 9.34962e-06 1.64006e-05 1.50836e-05 1.79769e+308 2.4371 inf
1892 9.48716e-06 1.60874e-05 1.50836e-05 1.79769e+308 2.4371 inf
1893 8.95078e-06 1.73233e-05 1.50836e-05 1.79769e+308 2.4371 inf
1894 9.2009e-06 1.62734e-05 1.50836e-05 1.79769e+308 2.4371 inf
1895 9.14652e-06 1.74047e-05 1.50836e-05 1.79769e+308 2.4371 inf
1896 9.29274e-06 1.6992e-05 1.50836e-05 1.79769e+308 2.4371 inf
1897 9.20876e-06 1.74158e-05 1.50836e-05 1.79769e+308 2.4371 inf
1898 9.27046e-06 1.66477e-05 1.50836e-05 1.79769e+308 2.4371 inf
1899 9.4947e-06 1.82967e-05 1.50836e-05 1.79769e+308 2.4371 inf
1900 9.46403e-06 1.76512e-05 1.50836e-05 1.79769e+308 2.4371 inf
1901 9.44955e-06 1.96384e-05 1.50836e-05 1.79769e+308 2.4371 inf
1902 9.42813e-06 2.29717e-05 1.50836e-05 1.79769e+308 2.4371 inf
1903 9.42879e-06 1.70037e-05 1.50836e-05 1.79769e+308 2.4371 inf
1904 9.59611e-06 1.6629e-05 1.50836e-05 1.79769e+308 2.4371 inf
1905 9.32837e-06 1.73154e-05 1.50836e-05 1.79769e+308 2.4371 inf
1906 9.33182e-06 1.88799e-05 1.50836e-05 1.79769e+308 2.4371 inf
1907 9.97976e-06 1.75708e-05 1.50836e-05 1.79769e+308 2.4371 inf
1908 1.01185e-05 1.65782e-05 1.50836e-05 1.79769e+308 2.4371 inf
1909 9.62005e-06 1.60917e-05 1.50836e-05 1.79769e+308 2.4371 inf
1910 1.01167e-05 1.85643e-05 1.50836e-05 1.79769e+308 2.4371 inf
1911 1.00049e-05 1.8513e-05 1.50836e-05 1.79769e+308 2.4371 inf
1912 9.72117e-06 1.61765e-05 1.50836e-05 1.79769e+308 2.4371 inf
1913 9.56455e-06 1.60004e-05 1.50836e-05 1.79769e+308 2.4371 inf
1914 9.60222e-06 1.70793e-05 1.50836e-05 1.79769e+308 2.4371 inf
1915 9.56502e-06 1.63019e-05 1.50836e-05 1.79769e+308 2.4371 inf
1916 9.85664e-06 1.94712e-05 1.50836e-05 1.79769e+308 2.4371 inf
1917 9.85423e-06 1.61867e-05 1.50836e-05 1.79769e+308 2.4371 inf
1918 9.71865e-06 1.86514e-05 1.50836e-05 1.79769e+308 2.4371 inf
1919 9.80775e-06 1.83496e-05 1.50836e-05 1.79769e+308 2.4371 inf
1920 9.76308e-06 1.58473e-05 1.50836e-05 1.79769e+308 2.4371 inf
1921 9.76605e-06 1.6815e-05 1.50836e-05 1.79769e+308 2.4371 inf
1922 9.98591e-06 1.74044e-05 1.50836e-05 1.79769e+308 2.4371 inf
1923 9.80617e-06 1.54445e-05 1.50836e-05 1.79769e+308 2.4371 inf
1924 9.67403e-06 1.78254e-05 1.50836e-05 1.79769e+308 2.4371 inf
1925 9.61397e-06 1.5766e-05 1.50836e-05 1.79769e+308 2.4371 inf
1926 9.73806e-06 1.56329e-05 1.50836e-05 1.79769e+308 2.4371 inf
1927 9.69458e-06 1.66775e-05 1.50836e-05 1.79769e+308 2.4371 inf
1928 9.62533e-06 1.65069e-05 1.50836e-05 1.79769e+308 2.4371 inf
1929 9.58763e-06 1.9538e-05 1.50836e-05 1.79769e+308 2.4371 inf
1930 9.295e-06 1.95589e-05 1.50836e-05 1.79769e+308 2.4371 inf
1931 9.84255e-06 1.69875e-05 1.50836e-05 1.79769e+308 2.4371 inf
1932 9.64444e-06 1.64958e-05 1.50836e-05 1.79769e+308 2.4371 inf
1933 9.50639e-06 1.56826e-05 1.50836e-05 1.79769e+308 2.4371 inf
1934 9.72448e-06 1.56129e-05 1.50836e-05 1.79769e+308 2.4371 inf
1935 9.61669e-06 1.56113e-05 1.50836e-05 1.79769e+308 2.4371 inf
1936 9.81346e-06 1.76904e-05 1.50836e-05 1.79769e+308 2.4371 inf
1937 9.93349e-06 1.65719e-05 1.50836e-05 1.79769e+308 2.4371 inf
1938 9.78031e-06 1.63629e-05 1.50836e-05 1.79769e+308 2.4371 inf
1939 9.92957e-06 2.26536e-05 1.50836e-05 1.79769e+308 2.4371 inf
1940 9.98637e-06 1.72321e-05 1.50836e-05 1.79769e+308 2.4371 inf
1941 9.64472e-06 1.72408e-05 1.50836e-05 1.79769e+308 2.4371 inf
1942 9.39185e-06 1.53508e-05 1.50836e-05 1.79769e+308 2.4371 inf
1943 9.77399e-06 1.68305e-05 1.50836e-05 1.79769e+308 2.4371 inf
1944 9.62084e-06 1.68179e-05 1.50836e-05 1.79769e+308 2.4371 inf
1945 9.85802e-06 1.94602e-05 1.50836e-05 1.79769e+308 2.4371 inf
1946 1.01451e-05 1.60087e-05 1.50836e-05 1.79769e+308 2.4371 inf
1947 9.98077e-06 1.61354e-05 1.50836e-05 1.79769e+308 2.4371 inf
1948 9.7433e-06 1.85004e-05 1.50836e-05 1.79769e+308 2.4371 inf
1949 1.02382e-05 1.70286e-05 1.50836e-05 1.79769e+308 2.4371 inf
1950 9.949e-06 1.66766e-05 1.50836e-05 1.79769e+308 2.4371 inf
1951 9.88346e-06 1.7216e-05 1.50836e-05 1.79769e+308 2.4371 inf
1952 1.03061e-05 1.6383e-05 1.50836e-05 1.79769e+308 2.4371 inf
1953 9.85155e-06 1.93764e-05 1.50836e-05 1.79769e+308 2.4371 inf
1954 1.01094e-05 1.63587e-05 1.50836e-05 1.79769e+308 2.4371 inf
1955 1.00233e-05 1.59888e-05 1.50836e-05 1.79769e+308 2.4371 inf
1956 9.91914e-06 1.70921e-05 1.50836e-05 1.79769e+308 2.4371 inf
1957 1.01593e-05 1.65482e-05 1.50836e-05 1.79769e+308 2.4371 inf
1958 9.78953e-06 1.58448e-05 1.50836e-05 1.79769e+308 2.4371 inf
1959 1.01958e-05 2.46007e-05 1.50836e-05 1.79769e+308 2.4371 inf
1960 1.02478e-05 1.60045e-05 1.50836e-05 1.79769e+308 2.4371 inf
1961 1.00329e-05 1.63345e-05 1.50836e-05 1.79769e+308 2.4371 inf
1962 9.86087e-06 1.57377e-05 1.50836e-05 1.79769e+308 2.4371 inf
1963 9.85412e-06 1.61432e-05 1.50836e-05 1.79769e+308 2.4371 inf
1964 1.01898e-05 1.72497e-05 1.50836e-05 1.79769e+308 2.4371 inf
1965 9.98239e-06 1.62537e-05 1.50836e-05 1.79769e+308 2.4371 inf
1966 9.88169e-06 1.5953e-05 1.50836e-05 1.79769e+308 2.4371 inf
1967 9.96075e-06 1.59417e-05 1.50836e-05 1.79769e+308 2.4371 inf
1968 9.9244e-06 1.6627e-05 1.50836e-05 1.79769e+308 2.4371 inf
1969 1.02768e-05 1.55025e-05 1.50836e-05 1.79769e+308 2.4371 inf
1970 9.79478e-06 1.7323e-05 1.50836e-05 1.79769e+308 2.4371 inf
1971 9.70594e-06 1.59892e-05 1.50836e-05 1.79769e+308 2.4371 inf
1972 9.92253e-06 1.56049e-05 1.50836e-05 1.79769e+308 2.4371 inf
1973 1.02844e-05 1.62087e-05 1.50836e-05 1.79769e+308 2.4371 inf
1974 9.88108e-06 1.60593e-05 1.50836e-05 1.79769e+308 2.4371 inf
1975 1.03363e-05 2.3372e-05 1.50836e-05 1.79769e+308 2.4371 inf
1976 1.00903e-05 1.56671e-05 1.50836e-05 1.79769e+308 2.4371 inf
1977 1.0034e-05 1.63623e-05 1.50836e-05 1.79769e+308 2.4371 inf
1978 1.05955e-05 2.41654e-05 1.50836e-05 1.79769e+308 2.4371 inf
1979 9.98045e-06 1.60316e-05 1.50836e-05 1.79769e+308 2.4371 inf
1980 1.01826e-05 1.74251e-05 1.50836e-05 1.79769e+308 2.4371 inf
1981 1.00099e-05 1.62511e-05 1.50836e-05 1.79769e+308 2.4371 inf
1982 1.05018e-05 1.69827e-05 1.50836e-05 1.79769e+308 2.4371 inf
1983 1.01826e-05 1.85301e-05 1.50836e-05 1.79769e+308 2.4371 inf
1984 1.02266e-05 1.74629e-05 1.50836e-05 1.79769e+308 2.4371 inf
1985 9.89301e-06 1.72259e-05 1.50836e-05 1.79769e+308 2.4371 inf
1986 9.97759e-06 1.83951e-05 1.50836e-05 1.79769e+308 2.4371 inf
1987 1.01937e-05 1.76837e-05 1.50836e-05 1.79769e+308 2.4371 inf
1988 1.02342e-05 1.65424e-05 1.50836e-05 1.79769e+308 2.4371 inf
1989 1.0042e-05 1.6462e-05 1.50836e-05 1.79769e+308 2.4371 inf
1990 1.02775e-05 1.65098e-05 1.50836e-05 1.79769e+308 2.4371 inf
1991 1.01875e-05 1.68003e-05 1.50836e-05 1.79769e+308 2.4371 inf
1992 1.06705e-05 1.77484e-05 1.50836e-05 1.79769e+308 2.4371 inf
1993 9.93596e-06 1.58948e-05 1.50836e-05 1.79769e+308 2.4371 inf
1994 9.84049e-06 1.64898e-05 1.50836e-05 1.79769e+308 2.4371 inf
1995 1.00874e-05 1.70451e-05 1.50836e-05 1.79769e+308 2.4371 inf
1996 1.00565e-05 1.72212e-05 1.50836e-05 1.79769e+308 2.4371 inf
1997 1.03333e-05 1.74265e-05 1.50836e-05 1.79769e+308 2.4371 inf
1998 1.00131e-05 1.90388e-05 1.50836e-05 1.79769e+308 2.4371 inf
1999 1.02191e-05 2.36772e-05 1.50836e-05 1.79769e+308 2.4371 inf
2000 1.00943e-05 1.66192e-05 1.50836e-05 1.79769e+308 2.4371 inf
2001 1.0387e-05 1.52033e-05 1.50836e-05 1.79769e+308 2.4371 inf
2002 1.03046e-05 1.66221e-05 1.50836e-05 1.79769e+308 2.4371 inf
2003 1.02823e-05 1.74131e-05 1.50836e-05 1.79769e+308 2.4371 inf
2004 1.01656e-05 1.64652e-05 1.50836e-05 1.79769e+308 2.4371 inf
2005 1.03759e-05 1.6454e-05 1.50836e-05 1.79769e+308 2.4371 inf
2006 1.02765e-05 1.67858e-05 1.50836e-05 1.79769e+308 2.4371 inf
2007 1.04643e-05 1.72124e-05 1.50836e-05 1.79769e+308 2.4371 inf
2008 1.00464e-05 1.76628e-05 1.50836e-05 1.79769e+308 2.4371 inf
2009 1.05124e-05 1.70889e-05 1.50836e-05 1.79769e+308 2.4371 inf
2010 9.93571e-06 1.71128e-05 1.50836e-05 1.79769e+308 2.4371 inf
2011 1.02466e-05 1.62273e-05 1.50836e-05 1.79769e+308 2.4371 inf
2012 1.0031e-05 1.61133e-05 1.50836e-05 1.79769e+308 2.4371 inf
2013 1.02204e-05 1.6331e-05 1.50836e-05 1.79769e+308 2.4371 inf
2014 1.03408e-05 1.62798e-05 1.50836e-05 1.79769e+308 2.4371 inf
2015 1.04858e-05 1.62962e-05 1.50836e-05 1.79769e+308 2.4371 inf
2016 1.02015e-05 1.64947e-05 1.50836e-05 1.79769e+308 2.4371 inf
2017 1.0331e-05 1.67237e-05 1.50836e-05 1.79769e+308 2.4371 inf
2018 1.02107e-05 1.6149e-05 1.50836e-05 1.79769e+308 2.4371 inf
2019 1.02331e-05 1.68559e-05 1.50836e-05 1.79769e+308 2.4371 inf
2020 1.04113e-05 1.77284e-05 1.50836e-05 1.79769e+308 2.4371 inf
2021 1.03652e-05 1.67698e-05 1.50836e-05 1.79769e+308 2.4371 inf
2022 1.08447e-05 1.58488e-05 1.50836e-05 1.79769e+308 2.4371 inf
2023 1.03883e-05 1.68342e-05 1.50836e-05 1.79769e+308 2.4371 inf
2024 1.02409e-05 1.59224e-05 1.50836e-05 1.79769e+308 2.4371 inf
2025 1.02759e-05 1.82957e-05 1.50836e-05 1.79769e+308 2.4371 inf
2026 1.02352e-05 1.64226e-05 1.50836e-05 1.79769e+308 2.4371 inf
2027 1.10428e-05 1.70629e-05 1.50836e-05 1.79769e+308 2.4371 inf
2028 1.05836e-05 1.74977e-05 1.50836e-05 1.79769e+308 2.4371 inf
2029 1.07154e-05 1.65802e-05 1.50836e-05 1.79769e+308 2.4371 inf
2030 1.30709e-05 2.14695e-05 1.50836e-05 1.79769e+308 2.4371 inf
2031 1.08277e-05 1.76621e-05 1.50836e-05 1.79769e+308 2.4371 inf
2032 1.05723e-05 1.69622e-05 1.50836e-05 1.79769e+308 2.4371 inf
2033 1.06001e-05 1.63409e-05 1.50836e-05 1.79769e+308 2.4371 inf
2034 1.00496e-05 1.6584e-05 1.50836e-05 1.79769e+308 2.4371 inf
2035 1.0356e-05 1.71588e-05 1.50836e-05 1.79769e+308 2.4371 inf
2036 1.07049e-05 1.71562e-05 1.50836e-05 1.79769e+308 2.4371 inf
2037 1.04938e-05 1.58872e-05 1.50836e-05 1.79769e+308 2.4371 inf
2038 1.05173e-05 1.89714e-05 1.50836e-05 1.79769e+308 2.4371 inf
2039 1.05089e-05 1.69292e-05 1.50836e-05 1.79769e+308 2.4371 inf
2040 1.05412e-05 1.62405e-05 1.50836e-05 1.79769e+308 2.4371 inf
2041 1.05468e-05 1.82381e-05 1.50836e-05 1.79769e+308 2.4371 inf
2042 1.01316e-05 1.62177e-05 1.50836e-05 1.79769e+308 2.4371 inf
2043 1.03135e-05 1.70418e-05 1.50836e-05 1.79769e+308 2.4371 inf
2044 1.01825e-05 1.6737e-05 1.50836e-05 1.79769e+308 2.4371 inf
2045 1.01926e-05 1.98184e-05 1.50836e-05 1.79769e+308 2.4371 inf
2046 1.07322e-05 1.6092e-05 1.50836e-05 1.79769e+308 2.4371 inf
2047 1.03306e-05 1.6632e-05 1.50836e-05 1.79769e+308 2.4371 inf
2048 1.06339e-05 1.64104e-05 1.50836e-05 1.79769e+308 2.4371 inf
2049 1.04984e-05 1.83113e-05 1.50836e-05 1.79769e+308 2.4371 inf
2050 1.02206e-05 1.81921e-05 1.50836e-05 1.79769e+308 2.4371 inf
2051 1.0634e-05 1.62117e-05 1.50836e-05 1.79769e+308 2.4371 inf
2052 1.08436e-05 1.67332e-05 1.50836e-05 1.79769e+308 2.4371 inf
2053 1.03948e-05 1.76226e-05 1.50836e-05 1.79769e+308 2.4371 inf
2054 1.03362e-05 2.04253e-05 1.50836e-05 1.79769e+308 2.4371 inf
2055 1.04088e-05 1.76049e-05 1.50836e-05 1.79769e+308 2.4371 inf
2056 1.06093e-05 1.68865e-05 1.50836e-05 1.79769e+308 2.4371 inf
2057 1.09587e-05 1.66378e-05 1.50836e-05 1.79769e+308 2.4371 inf
2058 1.0469e-05 1.63179e-05 1.50836e-05 1.79769e+308 2.4371 inf
2059 1.06436e-05 1.63513e-05 1.50836e-05 1.79769e+308 2.4371 inf
2060 1.04891e-05 1.68094e-05 1.50836e-05 1.79769e+308 2.4371 inf
2061 1.06274e-05 1.68862e-05 1.50836e-05 1.79769e+308 2.4371 inf
2062 1.07269e-05 1.75649e-05 1.50836e-05 1.79769e+308 2.4371 inf
2063 1.04919e-05 1.66275e-05 1.50836e-05 1.79769e+308 2.4371 inf
2064 1.03991e-05 1.82948e-05 1.50836e-05 1.79769e+308 2.4371 inf
2065 1.07393e-05 1.65484e-05 1.50836e-05 1.79769e+308 2.4371 inf
2066 1.05996e-05 1.64032e-05 1.50836e-05 1.79769e+308 2.4371 inf
2067 1.08394e-05 1.74296e-05 1.50836e-05 1.79769e+308 2.4371 inf
2068 1.05788e-05 1.71155e-05 1.50836e-05 1.79769e+308 2.4371 inf
2069 1.10117e-05 1.75656e-05 1.50836e-05 1.79769e+308 2.4371 inf
2070 1.06502e-05 1.72555e-05 1.50836e-05 1.79769e+308 2.4371 inf
2071 1.10629e-05 1.58397e-05 1.50836e-05 1.79769e+308 2.4371 inf
2072 1.06167e-05 2.26887e-05 1.50836e-05 1.79769e+308 2.4371 inf
2073 1.05053e-05 1.7209e-05 1.50836e-05 1.79769e+308 2.4371 inf
2074 1.07824e-05 1.61658e-05 1.50836e-05 1.79769e+308 2.4371 inf
2075 1.06321e-05 1.68365e-05 1.50836e-05 1.79769e+308 2.4371 inf
2076 1.05716e-05 1.62739e-05 1.50836e-05 1.79769e+308 2.4371 inf
2077 1.04295e-05 1.78768e-05 1.50836e-05 1.79769e+308 2.4371 inf
2078 1.07113e-05 1.68583e-05 1.50836e-05 1.79769e+308 2.4371 inf
2079 1.06165e-05 1.69843e-05 1.50836e-05 1.79769e+308 2.4371 inf
2080 1.04566e-05 1.81751e-05 1.50836e-05 1.79769e+308 2.4371 inf
2081 1.06178e-05 1.81297e-05 1.50836e-05 1.79769e+308 2.4371 inf
2082 1.1911e-05 1.72854e-05 1.50836e-05 1.79769e+308 2.4371 inf
2083 1.11025e-05 1.74468e-05 1.50836e-05 1.79769e+308 2.4371 inf
2084 1.13451e-05 1.72551e-05 1.50836e-05 1.79769e+308 2.4371 inf
2085 1.1067e-05 1.77346e-05 1.50836e-05 1.79769e+308 2.4371 inf
2086 1.09167e-05 1.64277e-05 1.50836e-05 1.79769e+308 2.4371 inf
2087 1.03741e-05 1.71062e-05 1.50836e-05 1.79769e+308 2.4371 inf
2088 1.10349e-05 1.6418e-05 1.50836e-05 1.79769e+308 2.4371 inf
2089 1.09218e-05 2.03702e-05 1.50836e-05 1.79769e+308 2.4371 inf
2090 1.09806e-05 1.61161e-05 1.50836e-05 1.79769e+308 2.4371 inf
2091 1.07364e-05 2.0029e-05 1.50836e-05 1.79769e+308 2.4371 inf
2092 1.04307e-05 1.71215e-05 1.50836e-05 1.79769e+308 2.4371 inf
2093 1.05619e-05 1.7429e-05 1.50836e-05 1.79769e+308 2.4371 inf
2094 1.13039e-05 1.64675e-05 1.50836e-05 1.79769e+308 2.4371 inf
2095 1.0423e-05 1.86073e-05 1.50836e-05 1.79769e+308 2.4371 inf
2096 1.10081e-05 1.58768e-05 1.50836e-05 1.79769e+308 2.4371 inf
2097 1.06693e-05 2.04716e-05 1.50836e-05 1.79769e+308 2.4371 inf
2098 1.07729e-05 1.70722e-05 1.50836e-05 1.79769e+308 2.4371 inf
2099 1.12158e-05 1.67555e-05 1.50836e-05 1.79769e+308 2.4371 inf
2100 1.08602e-05 1.6882e-05 1.50836e-05 1.79769e+308 2.4371 inf
2101 1.06796e-05 1.73847e-05 1.50836e-05 1.79769e+308 2.4371 inf
2102 1.06074e-05 1.6563e-05 1.50836e-05 1.79769e+308 2.4371 inf
2103 1.09152e-05 1.84607e-05 1.50836e-05 1.79769e+308 2.4371 inf
2104 1.10634e-05 1.88545e-05 1.50836e-05 1.79769e+308 2.4371 inf
2105 1.09645e-05 2.46619e-05 1.50836e-05 1.79769e+308 2.4371 inf
2106 1.08991e-05 1.97462e-05 1.50836e-05 1.79769e+308 2.4371 inf
2107 1.13062e-05 1.62434e-05 1.50836e-05 1.79769e+308 2.4371 inf
2108 1.09554e-05 1.67806e-05 1.50836e-05 1.79769e+308 2.4371 inf
2109 1.09979e-05 1.6734e-05 1.50836e-05 1.79769e+308 2.4371 inf
2110 1.14157e-05 1.68788e-05 1.50836e-05 1.79769e+308 2.4371 inf
2111 1.12329e-05 1.86468e-05 1.50836e-05 1.79769e+308 2.4371 inf
2112 1.09012e-05 1.65488e-05 1.50836e-05 1.79769e+308 2.4371 inf
2113 1.1027e-05 1.67412e-05 1.50836e-05 1.79769e+308 2.4371 inf
2114 1.09786e-05 1.80678e-05 1.50836e-05 1.79769e+308 2.4371 inf
2115 1.15316e-05 1.65684e-05 1.50836e-05 1.79769e+308 2.4371 inf
2116 1.13329e-05 1.60513e-05 1.50836e-05 1.79769e+308 2.4371 inf
2117 1.11032e-05 1.89191e-05 1.50836e-05 1.79769e+308 2.4371 inf
2118 1.10498e-05 1.51267e-05 1.50836e-05 1.79769e+308 2.4371 inf
2119 1.07855e-05 1.65575e-05 1.50836e-05 1.79769e+308 2.4371 inf
2120 1.10207e-05 1.80733e-05 1.50836e-05 1.79769e+308 2.4371 inf
2121 1.1287e-05 1.74071e-05 1.50836e-05 1.79769e+308 2.4371 inf
2122 1.14108e-05 1.71152e-05 1.50836e-05 1.79769e+308 2.4371 inf
2123 1.37565e-05 1.6927e-05 1.50836e-05 1.79769e+308 2.4371 inf
2124 1.1179e-05 1.77138e-05 1.50836e-05 1.79769e+308 2.4371 inf
2125 1.1368e-05 1.57529e-05 1.50836e-05 1.79769e+308 2.4371 inf
2126 1.63775e-05 1.65474e-05 1.50836e-05 1.79769e+308 2.4371 inf
2127 1.31488e-05 1.61556e-05 1.50836e-05 1.79769e+308 2.4371 inf
2128 1.16168e-05 1.85051e-05 1.50836e-05 1.79769e+308 2.4371 inf
2129 1.11603e-05 1.72174e-05 1.50836e-05 1.79769e+308 2.4371 inf
2130 1.58533e-05 2.54329e-05 1.50836e-05 1.79769e+308 2.4371 inf
2131 1.15289e-05 1.65663e-05 1.50836e-05 1.79769e+308 2.4371 inf
2132 1.16169e-05 1.71508e-05 1.50836e-05 1.79769e+308 2.4371 inf
2133 1.0839e-05 1.87517e-05 1.50836e-05 1.79769e+308 2.4371 inf
2134 1.1439e-05 1.67372e-05 1.50836e-05 1.79769e+308 2.4371 inf
2135 1.14459e-05 1.70092e-05 1.50836e-05 1.79769e+308 2.4371 inf
2136 1.12167e-05 1.73044e-05 1.50836e-05 1.79769e+308 2.4371 inf
2137 1.18982e-05 1.66643e-05 1.50836e-05 1.79769e+308 2.4371 inf
2138 1.13821e-05 1.6674e-05 1.50836e-05 1.79769e+308 2.4371 inf
2139 1.07358e-05 1.88778e-05 1.50836e-05 1.79769e+308 2.4371 inf
2140 1.10397e-05 1.63752e-05 1.50836e-05 1.79769e+308 2.4371 inf
2141 1.13121e-05 1.88272e-05 1.50836e-05 1.79769e+308 2.4371 inf
2142 1.15695e-05 1.70772e-05 1.50836e-05 1.79769e+308 2.4371 inf
2143 1.15395e-05 1.69775e-05 1.50836e-05 1.79769e+308 2.4371 inf
2144 1.12484e-05 1.6297e-05 1.50836e-05 1.79769e+308 2.4371 inf
2145 1.1576e-05 1.70893e-05 1.50836e-05 1.79769e+308 2.4371 inf
2146 1.17605e-05 1.68022e-05 1.50836e-05 1.79769e+308 2.4371 inf
2147 1.15125e-05 1.57088e-05 1.50836e-05 1.79769e+308 2.4371 inf
2148 1.18022e-05 1.77471e-05 1.50836e-05 1.79769e+308 2.4371 inf
2149 1.11514e-05 1.76812e-05 1.50836e-05 1.79769e+308 2.4371 inf
2150 1.18143e-05 1.78826e-05 1.50836e-05 1.79769e+308 2.4371 inf
2151 1.17071e-05 1.74184e-05 1.50836e-05 1.79769e+308 2.4371 inf
2152 1.18421e-05 2.3558e-05 1.50836e-05 1.79769e+308 2.4371 inf
2153 1.15293e-05 1.77755e-05 1.50836e-05 1.79769e+308 2.4371 inf
2154 1.13272e-05 1.6201e-05 1.50836e-05 1.79769e+308 2.4371 inf
2155 1.17442e-05 2.51442e-05 1.50836e-05 1.79769e+308 2.4371 inf
2156 1.12213e-05 1.60151e-05 1.50836e-05 1.79769e+308 2.4371 inf
2157 1.21787e-05 1.91935e-05 1.50836e-05 1.79769e+308 2.4371 inf
2158 1.15694e-05 1.7486e-05 1.50836e-05 1.79769e+308 2.4371 inf
2159 1.1597e-05 1.7467e-05 1.50836e-05 1.79769e+308 2.4371 inf
2160 1.17612e-05 1.6435e-05 1.50836e-05 1.79769e+308 2.4371 inf
2161 1.16747e-05 1.69207e-05 1.50836e-05 1.79769e+308 2.4371 inf
2162 1.14156e-05 1.58751e-05 1.50836e-05 1.79769e+308 2.4371 inf
2163 1.15883e-05 1.6729e-05 1.50836e-05 1.79769e+308 2.4371 inf
2164 1.1605e-05 1.64899e-05 1.50836e-05 1.79769e+308 2.4371 inf
2165 1.17211e-05 1.63008e-05 1.50836e-05 1.79769e+308 2.4371 inf
2166 1.25649e-05 1.68629e-05 1.50836e-05 1.79769e+308 2.4371 inf
2167 1.11391e-05 1.84623e-05 1.50836e-05 1.79769e+308 2.4371 inf
2168 1.14431e-05 1.65762e-05 1.50836e-05 1.79769e+308 2.4371 inf
2169 1.18317e-05 2.37559e-05 1.50836e-05 1.79769e+308 2.4371 inf
2170 1.15055e-05 1.59435e-05 1.50836e-05 1.79769e+308 2.4371 inf
2171 1.13194e-05 1.73176e-05 1.50836e-05 1.79769e+308 2.4371 inf
2172 1.17927e-05 2.31208e-05 1.50836e-05 1.79769e+308 2.4371 inf
2173 1.3955e-05 1.74847e-05 1.50836e-05 1.79769e+308 2.4371 inf
2174 1.28359e-05 1.70489e-05 1.50836e-05 1.79769e+308 2.4371 inf
2175 1.187e-05 1.72349e-05 1.50836e-05 1.79769e+308 2.4371 inf
2176 1.20005e-05 1.67879e-05 1.50836e-05 1.79769e+308 2.4371 inf
2177 1.21769e-05 1.84689e-05 1.50836e-05 1.79769e+308 2.4371 inf
2178 1.1985e-05 1.85813e-05 1.50836e-05 1.79769e+308 2.4371 inf
2179 1.18615e-05 2.60998e-05 1.50836e-05 1.79769e+308 2.4371 inf
2180 1.26986e-05 1.73487e-05 1.50836e-05 1.79769e+308 2.4371 inf
2181 1.17162e-05 1.67188e-05 1.50836e-05 1.79769e+308 2.4371 inf
2182 1.2076e-05 1.71935e-05 1.50836e-05 1.79769e+308 2.4371 inf
2183 1.21233e-05 1.69368e-05 1.50836e-05 1.79769e+308 2.4371 inf
2184 1.17207e-05 2.38394e-05 1.50836e-05 1.79769e+308 2.4371 inf
2185 1.21805e-05 1.9251e-05 1.50836e-05 1.79769e+308 2.4371 inf
2186 1.23257e-05 1.72735e-05 1.50836e-05 1.79769e+308 2.4371 inf
2187 1.18998e-05 1.63656e-05 1.50836e-05 1.79769e+308 2.4371 inf
2188 1.17906e-05 1.75837e-05 1.50836e-05 1.79769e+308 2.4371 inf
2189 1.18425e-05 2.37561e-05 1.50836e-05 1.79769e+308 2.4371 inf
2190 1.19429e-05 1.64101e-05 1.50836e-05 1.79769e+308 2.4371 inf
2191 1.22173e-05 1.6941e-05 1.50836e-05 1.79769e+308 2.4371 inf
2192 1.16497e-05 1.69447e-05 1.50836e-05 1.79769e+308 2.4371 inf
2193 1.1454e-05 1.78959e-05 1.50836e-05 1.79769e+308 2.4371 inf
2194 1.16524e-05 1.70306e-05 1.50836e-05 1.79769e+308 2.4371 inf
2195 1.25187e-05 1.76552e-05 1.50836e-05 1.79769e+308 2.4371 inf
2196 1.16701e-05 1.97321e-05 1.50836e-05 1.79769e+308 2.4371 inf
2197 1.19937e-05 1.78422e-05 1.50836e-05 1.79769e+308 2.4371 inf
2198 1.21027e-05 1.80884e-05 1.50836e-05 1.79769e+308 2.4371 inf
2199 1.24275e-05 1.97867e-05 1.50836e-05 1.79769e+308 2.4371 inf
2200 1.21672e-05 1.67587e-05 1.50836e-05 1.79769e+308 2.4371 inf
2201 1.20569e-05 1.80729e-05 1.50836e-05 1.79769e+308 2.4371 inf
2202 2.00978e-05 2.61524e-05 1.50836e-05 1.79769e+308 2.4371 inf
2203 1.26965e-05 1.70192e-05 1.50836e-05 1.79769e+308 2.4371 inf
2204 1.18845e-05 1.8025e-05 1.50836e-05 1.79769e+308 2.4371 inf
2205 1.26348e-05 1.73126e-05 1.50836e-05 1.79769e+308 2.4371 inf
2206 1.17998e-05 1.69986e-05 1.50836e-05 1.79769e+308 2.4371 inf
2207 1.15623e-05 1.75507e-05 1.50836e-05 1.79769e+308 2.4371 inf
2208 1.1888e-05 1.82094e-05 1.50836e-05 1.79769e+308 2.4371 inf
2209 1.21735e-05 1.71816e-05 1.50836e-05 1.79769e+308 2.4371 inf
2210 1.26078e-05 1.66731e-05 1.50836e-05 1.79769e+308 2.4371 inf
2211 1.24625e-05 1.70757e-05 1.50836e-05 1.79769e+308 2.4371 inf
2212 1.20561e-05 1.77193e-05 1.50836e-05 1.79769e+308 2.4371 inf
2213 1.27122e-05 1.80824e-05 1.50836e-05 1.79769e+308 2.4371 inf
2214 1.20571e-05 1.69656e-05 1.50836e-05 1.79769e+308 2.4371 inf
2215 1.25414e-05 1.69319e-05 1.50836e-05 1.79769e+308 2.4371 inf
2216 1.22881e-05 1.75671e-05 1.50836e-05 1.79769e+308 2.4371 inf
2217 1.21395e-05 1.73014e-05 1.50836e-05 1.79769e+308 2.4371 inf
2218 1.20652e-05 1.721e-05 1.50836e-05 1.79769e+308 2.4371 inf
2219 1.19038e-05 1.68578e-05 1.50836e-05 1.79769e+308 2.4371 inf
2220 1.23103e-05 1.70652e-05 1.50836e-05 1.79769e+308 2.4371 inf
2221 1.26408e-05 1.75535e-05 1.50836e-05 1.79769e+308 2.4371 inf
2222 1.19555e-05 1.65308e-05 1.50836e-05 1.79769e+308 2.4371 inf
2223 1.20665e-05 1.81254e-05 1.50836e-05 1.79769e+308 2.4371 inf
2224 1.22244e-05 1.82227e-05 1.50836e-05 1.79769e+308 2.4371 inf
2225 1.27687e-05 2.19183e-05 1.50836e-05 1.79769e+308 2.4371 inf
2226 1.21906e-05 1.87344e-05 1.50836e-05 1.79769e+308 2.4371 inf
2227 1.22336e-05 1.67417e-05 1.50836e-05 1.79769e+308 2.4371 inf
2228 1.21487e-05 1.58349e-05 1.50836e-05 1.79769e+308 2.4371 inf
2229 1.29992e-05 1.65437e-05 1.50836e-05 1.79769e+308 2.4371 inf
2230 1.24056e-05 1.74356e-05 1.50836e-05 1.79769e+308 2.4371 inf
2231 1.23677e-05 1.70282e-05 1.50836e-05 1.79769e+308 2.4371 inf
2232 1.22307e-05 1.65139e-05 1.50836e-05 1.79769e+308 2.4371 inf
2233 1.2841e-05 1.69341e-05 1.50836e-05 1.79769e+308 2.4371 inf
2234 1.27996e-05 2.03187e-05 1.50836e-05 1.79769e+308 2.4371 inf
2235 1.17551e-05 2.58786e-05 1.50836e-05 1.79769e+308 2.4371 inf
2236 1.25078e-05 2.48137e-05 1.50836e-05 1.79769e+308 2.4371 inf
2237 1.27719e-05 1.71231e-05 1.50836e-05 1.79769e+308 2.4371 inf
2238 1.283e-05 1.6815e-05 1.50836e-05 1.79769e+308 2.4371 inf
2239 1.20092e-05 2.0128e-05 1.50836e-05 1.79769e+308 2.4371 inf
2240 1.24617e-05 1.80775e-05 1.50836e-05 1.79769e+308 2.4371 inf
2241 1.22317e-05 1.65048e-05 1.50836e-05 1.79769e+308 2.4371 inf
2242 1.28626e-05 1.6818e-05 1.50836e-05 1.79769e+308 2.4371 inf
2243 1.20917e-05 1.86542e-05 1.50836e-05 1.79769e+308 2.4371 inf
2244 1.33917e-05 1.76738e-05 1.50836e-05 1.79769e+308 2.4371 inf
2245 1.27948e-05 1.82915e-05 1.50836e-05 1.79769e+308 2.4371 inf
2246 1.25059e-05 1.98214e-05 1.50836e-05 1.79769e+308 2.4371 inf
2247 1.22652e-05 1.72417e-05 1.50836e-05 1.79769e+308 2.4371 inf
2248 1.23473e-05 1.6978e-05 1.50836e-05 1.79769e+308 2.4371 inf
2249 1.5905e-05 1.90437e-05 1.50836e-05 1.79769e+308 2.4371 inf
2250 1.31608e-05 2.00408e-05 1.50836e-05 1.79769e+308 2.4371 inf
2251 1.33277e-05 1.84344e-05 1.50836e-05 1.79769e+308 2.4371 inf
2252 1.23254e-05 1.90485e-05 1.50836e-05 1.79769e+308 2.4371 inf
2253 1.23025e-05 1.76481e-05 1.50836e-05 1.79769e+308 2.4371 inf
2254 1.2979e-05 1.80951e-05 1.50836e-05 1.79769e+308 2.4371 inf
2255 1.23442e-05 1.75959e-05 1.50836e-05 1.79769e+308 2.4371 inf
2256 1.30765e-05 1.67735e-05 1.50836e-05 1.79769e+308 2.4371 inf
2257 1.24651e-05 2.37813e-05 1.50836e-05 1.79769e+308 2.4371 inf
2258 2.02889e-05 1.81943e-05 1.50836e-05 1.79769e+308 2.4371 inf
2259 1.36554e-05 1.90889e-05 1.50836e-05 1.79769e+308 2.4371 inf
2260 1.28584e-05 1.76216e-05 1.50836e-05 1.79769e+308 2.4371 inf
2261 1.21114e-05 1.74693e-05 1.50836e-05 1.79769e+308 2.4371 inf
2262 1.31851e-05 1.67884e-05 1.50836e-05 1.79769e+308 2.4371 inf
2263 1.25552e-05 1.62538e-05 1.50836e-05 1.79769e+308 2.4371 inf
2264 1.29162e-05 1.78421e-05 1.50836e-05 1.79769e+308 2.4371 inf
2265 1.28018e-05 1.78667e-05 1.50836e-05 1.79769e+308 2.4371 inf
2266 1.26224e-05 1.88791e-05 1.50836e-05 1.79769e+308 2.4371 inf
2267 1.26911e-05 1.68947e-05 1.50836e-05 1.79769e+308 2.4371 inf
2268 1.29383e-05 1.77176e-05 1.50836e-05 1.79769e+308 2.4371 inf
2269 1.26768e-05 1.74496e-05 1.50836e-05 1.79769e+308 2.4371 inf
2270 1.22875e-05 1.89426e-05 1.50836e-05 1.79769e+308 2.4371 inf
2271 1.27153e-05 1.9182e-05 1.50836e-05 1.79769e+308 2.4371 inf
2272 1.31264e-05 1.74479e-05 1.50836e-05 1.79769e+308 2.4371 inf
2273 1.24069e-05 1.75558e-05 1.50836e-05 1.79769e+308 2.4371 inf
2274 1.28208e-05 1.85043e-05 1.50836e-05 1.79769e+308 2.4371 inf
2275 1.30567e-05 1.88975e-05 1.50836e-05 1.79769e+308 2.4371 inf
2276 1.29955e-05 1.83467e-05 1.50836e-05 1.79769e+308 2.4371 inf
2277 1.25703e-05 2.45967e-05 1.50836e-05 1.79769e+308 2.4371 inf
2278 1.2667e-05 1.68303e-05 1.50836e-05 1.79769e+308 2.4371 inf
2279 1.26952e-05 1.72606e-05 1.50836e-05 1.79769e+308 2.4371 inf
2280 1.31348e-05 2.09022e-05 1.50836e-05 1.79769e+308 2.4371 inf
2281 1.27778e-05 1.80931e-05 1.50836e-05 1.79769e+308 2.4371 inf
2282 1.30476e-05 1.8146e-05 1.50836e-05 1.79769e+308 2.4371 inf
2283 1.2697e-05 1.70693e-05 1.50836e-05 1.79769e+308 2.4371 inf
2284 1.3431e-05 2.23125e-05 1.50836e-05 1.79769e+308 2.4371 inf
2285 1.29139e-05 1.89472e-05 1.50836e-05 1.79769e+308 2.4371 inf
2286 1.24763e-05 1.80856e-05 1.50836e-05 1.79769e+308 2.4371 inf
2287 1.25527e-05 1.69762e-05 1.50836e-05 1.79769e+308 2.4371 inf
2288 1.29192e-05 2.01973e-05 1.50836e-05 1.79769e+308 2.4371 inf
2289 1.26517e-05 1.77332e-05 1.50836e-05 1.79769e+308 2.4371 inf
2290 1.2529e-05 1.92652e-05 1.50836e-05 1.79769e+308 2.4371 inf
2291 1.29689e-05 1.76928e-05 1.50836e-05 1.79769e+308 2.4371 inf
2292 1.31165e-05 1.75198e-05 1.50836e-05 1.79769e+308 2.4371 inf
2293 1.28393e-05 1.80509e-05 1.50836e-05 1.79769e+308 2.4371 inf
2294 1.29529e-05 1.85821e-05 1.50836e-05 1.79769e+308 2.4371 inf
2295 1.29209e-05 1.76092e-05 1.50836e-05 1.79769e+308 2.4371 inf
2296 1.28928e-05 1.75197e-05 1.50836e-05 1.79769e+308 2.4371 inf
2297 1.29477e-05 1.73583e-05 1.50836e-05 1.79769e+308 2.4371 inf
2298 1.62691e-05 1.87894e-05 1.50836e-05 1.79769e+308 2.4371 inf
2299 1.61405e-05 1.67841e-05 1.50836e-05 1.79769e+308 2.4371 inf
2300 1.30013e-05 1.7675e-05 1.50836e-05 1.79769e+308 2.4371 inf
2301 1.33894e-05 1.83016e-05 1.50836e-05 1.79769e+308 2.4371 inf
2302 1.2932e-05 1.74928e-05 1.50836e-05 1.79769e+308 2.4371 inf
2303 1.31942e-05 1.79206e-05 1.50836e-05 1.79769e+308 2.4371 inf
2304 1.32444e-05 1.91397e-05 1.50836e-05 1.79769e+308 2.4371 inf
2305 1.35221e-05 1.83258e-05 1.50836e-05 1.79769e+308 2.4371 inf
2306 1.30496e-05 1.94246e-05 1.50836e-05 1.79769e+308 2.4371 inf
2307 1.89686e-05 1.95868e-05 1.50836e-05 1.79769e+308 2.4371 inf
2308 1.3449e-05 1.76005e-05 1.50836e-05 1.79769e+308 2.4371 inf
2309 1.36769e-05 1.87136e-05 1.50836e-05 1.79769e+308 2.4371 inf
2310 1.40166e-05 2.09644e-05 1.50836e-05 1.79769e+308 2.4371 inf
2311 1.31865e-05 1.63302e-05 1.50836e-05 1.79769e+308 2.4371 inf
2312 1.38144e-05 1.77968e-05 1.50836e-05 1.79769e+308 2.4371 inf
2313 1.34148e-05 1.69503e-05 1.50836e-05 1.79769e+308 2.4371 inf
2314 1.30163e-05 1.69542e-05 1.50836e-05 1.79769e+308 2.4371 inf
2315 1.38248e-05 1.75503e-05 1.50836e-05 1.79769e+308 2.4371 inf
2316 1.41153e-05 1.79159e-05 1.50836e-05 1.79769e+308 2.4371 inf
2317 1.33892e-05 1.82515e-05 1.50836e-05 1.79769e+308 2.4371 inf
2318 1.32143e-05 1.84721e-05 1.50836e-05 1.79769e+308 2.4371 inf
2319 1.3058e-05 1.96982e-05 1.50836e-05 1.79769e+308 2.4371 inf
2320 1.40209e-05 1.73296e-05 1.50836e-05 1.79769e+308 2.4371 inf
2321 1.36191e-05 1.72405e-05 1.50836e-05 1.79769e+308 2.4371 inf
2322 1.40705e-05 1.93173e-05 1.50836e-05 1.79769e+308 2.4371 inf
2323 1.59968e-05 1.87834e-05 1.50836e-05 1.79769e+308 2.4371 inf
2324 1.34938e-05 1.88726e-05 1.50836e-05 1.79769e+308 2.4371 inf
2325 1.43201e-05 1.78792e-05 1.50836e-05 1.79769e+308 2.4371 inf
2326 1.35143e-05 1.85615e-05 1.50836e-05 1.79769e+308 2.4371 inf
2327 1.3259e-05 1.71714e-05 1.50836e-05 1.79769e+308 2.4371 inf
2328 1.35612e-05 2.01453e-05 1.50836e-05 1.79769e+308 2.4371 inf
2329 1.4321e-05 2.56184e-05 1.50836e-05 1.79769e+308 2.4371 inf
2330 1.38488e-05 1.77668e-05 1.50836e-05 1.79769e+308 2.4371 inf
2331 1.37579e-05 1.85978e-05 1.50836e-05 1.79769e+308 2.4371 inf
2332 1.43457e-05 1.89036e-05 1.50836e-05 1.79769e+308 2.4371 inf
2333 1.37167e-05 1.92744e-05 1.50836e-05 1.79769e+308 2.4371 inf
2334 1.39957e-05 1.79335e-05 1.50836e-05 1.79769e+308 2.4371 inf
2335 1.35814e-05 1.91298e-05 1.50836e-05 1.79769e+308 2.4371 inf
2336 1.35335e-05 1.89967e-05 1.50836e-05 1.79769e+308 2.4371 inf
2337 1.43239e-05 1.83081e-05 1.50836e-05 1.79769e+308 2.4371 inf
2338 1.35164e-05 1.69048e-05 1.50836e-05 1.79769e+308 2.4371 inf
2339 1.3444e-05 1.73967e-05 1.50836e-05 1.79769e+308 2.4371 inf
2340 1.45546e-05 2.48019e-05 1.50836e-05 1.79769e+308 2.4371 inf
2341 1.34379e-05 1.80496e-05 1.50836e-05 1.79769e+308 2.4371 inf
2342 1.37429e-05 1.90219e-05 1.50836e-05 1.79769e+308 2.4371 inf
2343 1.36354e-05 1.74526e-05 1.50836e-05 1.79769e+308 2.4371 inf
2344 1.38433e-05 1.77003e-05 1.50836e-05 1.79769e+308 2.4371 inf
2345 1.38237e-05 1.95851e-05 1.50836e-05 1.79769e+308 2.4371 inf
2346 1.38315e-05 1.8317e-05 1.50836e-05 1.79769e+308 2.4371 inf
2347 1.43904e-05 1.75668e-05 1.50836e-05 1.79769e+308 2.4371 inf
2348 1.41702e-05 1.89691e-05 1.50836e-05 1.79769e+308 2.4371 inf
2349 1.33932e-05 1.7033e-05 1.50836e-05 1.79769e+308 2.4371 inf
2350 1.4055e-05 1.85584e-05 1.50836e-05 1.79769e+308 2.4371 inf
2351 1.39857e-05 1.82632e-05 1.50836e-05 1.79769e+308 2.4371 inf
2352 1.38925e-05 1.66347e-05 1.50836e-05 1.79769e+308 2.4371 inf
2353 1.40102e-05 1.82088e-05 1.50836e-05 1.79769e+308 2.4371 inf
2354 1.38391e-05 1.85696e-05 1.50836e-05 1.79769e+308 2.4371 inf
2355 1.43401e-05 1.80801e-05 1.50836e-05 1.79769e+308 2.4371 inf
2356 1.35793e-05 1.93247e-05 1.50836e-05 1.79769e+308 2.4371 inf
2357 1.40712e-05 1.76178e-05 1.50836e-05 1.79769e+308 2.4371 inf
2358 1.38838e-05 1.88864e-05 1.50836e-05 1.79769e+308 2.4371 inf
2359 2.5135e-05 1.87569e-05 1.50836e-05 1.79769e+308 2.4371 inf
2360 1.46689e-05 1.75582e-05 1.50836e-05 1.79769e+308 2.4371 inf
2361 1.41673e-05 1.79473e-05 1.50836e-05 1.79769e+308 2.4371 inf
2362 1.42389e-05 1.83005e-05 1.50836e-05 1.79769e+308 2.4371 inf
2363 1.44495e-05 1.76154e-05 1.50836e-05 1.79769e+308 2.4371 inf
2364 1.32531e-05 1.97017e-05 1.50836e-05 1.79769e+308 2.4371 inf
2365 1.43245e-05 1.83448e-05 1.50836e-05 1.79769e+308 2.4371 inf
2366 1.37348e-05 2.43309e-05 1.50836e-05 1.79769e+308 2.4371 inf
2367 2.14238e-05 1.83111e-05 1.50836e-05 1.79769e+308 2.4371 inf
2368 1.5379e-05 1.82816e-05 1.50836e-05 1.79769e+308 2.4371 inf
2369 1.56275e-05 1.86679e-05 1.50836e-05 1.79769e+308 2.4371 inf
2370 1.41538e-05 1.75836e-05 1.50836e-05 1.79769e+308 2.4371 inf
2371 1.42893e-05 1.95812e-05 1.50836e-05 1.79769e+308 2.4371 inf
2372 1.42464e-05 1.80595e-05 1.50836e-05 1.79769e+308 2.4371 inf
2373 1.37779e-05 2.05617e-05 1.50836e-05 1.79769e+308 2.4371 inf
2374 1.39281e-05 1.85652e-05 1.50836e-05 1.79769e+308 2.4371 inf
2375 1.42017e-05 1.80634e-05 1.50836e-05 1.79769e+308 2.4371 inf
2376 1.48463e-05 1.79569e-05 1.50836e-05 1.79769e+308 2.4371 inf
2377 1.44584e-05 1.88162e-05 1.50836e-05 1.79769e+308 2.4371 inf
2378 1.39763e-05 1.8789e-05 1.50836e-05 1.79769e+308 2.4371 inf
2379 1.47675e-05 1.77566e-05 1.50836e-05 1.79769e+308 2.4371 inf
2380 1.47475e-05 1.98674e-05 1.50836e-05 1.79769e+308 2.4371 inf
2381 1.38683e-05 1.74327e-05 1.50836e-05 1.79769e+308 2.4371 inf
2382 1.46568e-05 1.94008e-05 1.50836e-05 1.79769e+308 2.4371 inf
2383 1.50049e-05 1.76842e-05 1.50836e-05 1.79769e+308 2.4371 inf
2384 1.5449e-05 1.89174e-05 1.50836e-05 1.79769e+308 2.4371 inf
2385 1.48004e-05 1.78585e-05 1.50836e-05 1.79769e+308 2.4371 inf
2386 1.52133e-05 2.54229e-05 1.50836e-05 1.79769e+308 2.4371 inf
2387 1.39739e-05 2.01299e-05 1.50836e-05 1.79769e+308 2.4371 inf
2388 1.459e-05 1.83612e-05 1.50836e-05 1.79769e+308 2.4371 inf
2389 1.43185e-05 1.83081e-05 1.50836e-05 1.79769e+308 2.4371 inf
2390 1.60647e-05 1.91431e-05 1.50836e-05 1.79769e+308 2.4371 inf
2391 1.56722e-05 1.77592e-05 1.50836e-05 1.79769e+308 2.4371 inf
2392 1.45485e-05 1.79498e-05 1.50836e-05 1.79769e+308 2.4371 inf
2393 1.41299e-05 1.78239e-05 1.50836e-05 1.79769e+308 2.4371 inf
2394 1.46551e-05 1.86696e-05 1.50836e-05 1.79769e+308 2.4371 inf
2395 1.48416e-05 2.57883e-05 1.50836e-05 1.79769e+308 2.4371 inf
2396 1.48649e-05 2.01563e-05 1.50836e-05 1.79769e+308 2.4371 inf
2397 1.45673e-05 1.82092e-05 1.50836e-05 1.79769e+308 2.4371 inf
2398 1.80542e-05 1.89288e-05 1.50836e-05 1.79769e+308 2.4371 inf
2399 1.4501e-05 2.19034e-05 1.50836e-05 1.79769e+308 2.4371 inf
2400 1.46717e-05 1.80224e-05 1.50836e-05 1.79769e+308 2.4371 inf
2401 1.51792e-05 1.97146e-05 1.50836e-05 1.79769e+308 2.4371 inf
2402 1.44925e-05 1.94959e-05 1.50836e-05 1.79769e+308 2.4371 inf
2403 1.4645e-05 1.92443e-05 1.50836e-05 1.79769e+308 2.4371 inf
2404 1.50472e-05 2.13711e-05 1.50836e-05 1.79769e+308 2.4371 inf
2405 1.55832e-05 1.83501e-05 1.50836e-05 1.79769e+308 2.4371 inf
2406 2.93783e-05 1.97063e-05 1.50836e-05 1.79769e+308 2.4371 inf
2407 1.47185e-05 1.86856e-05 1.50836e-05 1.79769e+308 2.4371 inf
2408 1.52699e-05 1.74193e-05 1.50836e-05 1.79769e+308 2.4371 inf
2409 1.45749e-05 2.09359e-05 1.50836e-05 1.79769e+308 2.4371 inf
2410 1.4482e-05 2.03472e-05 1.50836e-05 1.79769e+308 2.4371 inf
2411 1.50441e-05 1.8499e-05 1.50836e-05 1.79769e+308 2.4371 inf
2412 1.48928e-05 1.8551e-05 1.50836e-05 1.79769e+308 2.4371 inf
2413 1.52984e-05 1.86939e-05 1.50836e-05 1.79769e+308 2.4371 inf
2414 1.4935e-05 1.9569e-05 1.50836e-05 1.79769e+308 2.4371 inf
2415 1.534e-05 1.92632e-05 1.50836e-05 1.79769e+308 2.4371 inf
2416 1.52479e-05 1.97251e-05 1.50836e-05 1.79769e+308 2.4371 inf
2417 1.52163e-05 1.82195e-05 1.50836e-05 1.79769e+308 2.4371 inf
2418 1.47932e-05 1.84356e-05 1.50836e-05 1.79769e+308 2.4371 inf
2419 1.4512e-05 2.7818e-05 1.50836e-05 1.79769e+308 2.4371 inf
2420 1.59955e-05 1.88788e-05 1.50836e-05 1.79769e+308 2.4371 inf
2421 1.39834e-05 1.98159e-05 1.50836e-05 1.79769e+308 2.4371 inf
2422 1.50509e-05 1.87171e-05 1.50836e-05 1.79769e+308 2.4371 inf
2423 1.47468e-05 2.02456e-05 1.50836e-05 1.79769e+308 2.4371 inf
2424 1.48046e-05 1.88262e-05 1.50836e-05 1.79769e+308 2.4371 inf
2425 1.47881e-05 1.96573e-05 1.50836e-05 1.79769e+308 2.4371 inf
2426 1.51113e-05 1.92596e-05 1.50836e-05 1.79769e+308 2.4371 inf
2427 1.50196e-05 1.94154e-05 1.50836e-05 1.79769e+308 2.4371 inf
2428 1.56715e-05 2.23482e-05 1.50836e-05 1.79769e+308 2.4371 inf
2429 1.43882e-05 1.82099e-05 1.50836e-05 1.79769e+308 2.4371 inf
2430 1.79755e-05 1.91763e-05 1.50836e-05 1.79769e+308 2.4371 inf
2431 1.51758e-05 1.88253e-05 1.50836e-05 1.79769e+308 2.4371 inf
2432 1.50177e-05 1.89955e-05 1.50836e-05 1.79769e+308 2.4371 inf
2433 1.48923e-05 1.89791e-05 1.50836e-05 1.79769e+308 2.4371 inf
2434 1.55297e-05 1.99711e-05 1.50836e-05 1.79769e+308 2.4371 inf
2435 1.50449e-05 1.95809e-05 1.50836e-05 1.79769e+308 2.4371 inf
2436 1.60501e-05 2.29155e-05 1.50836e-05 1.79769e+308 2.4371 inf
2437 1.80571e-05 2.20116e-05 1.50836e-05 1.79769e+308 2.4371 inf
2438 1.60183e-05 1.91749e-05 1.50836e-05 1.79769e+308 2.4371 inf
2439 1.54415e-05 1.91902e-05 1.50836e-05 1.79769e+308 2.4371 inf
2440 1.5526e-05 1.91624e-05 1.50836e-05 1.79769e+308 2.4371 inf
2441 1.5713e-05 1.93475e-05 1.50836e-05 1.79769e+308 2.4371 inf
2442 1.54881e-05 2.10803e-05 1.50836e-05 1.79769e+308 2.4371 inf
2443 1.52383e-05 2.06267e-05 1.50836e-05 1.79769e+308 2.4371 inf
2444 1.54069e-05 2.02235e-05 1.50836e-05 1.79769e+308 2.4371 inf
2445 1.63325e-05 2.01603e-05 1.50836e-05 1.79769e+308 2.4371 inf
2446 1.59487e-05 1.98007e-05 1.50836e-05 1.79769e+308 2.4371 inf
2447 1.70542e-05 1.98322e-05 1.50836e-05 1.79769e+308 2.4371 inf
2448 1.55192e-05 1.93887e-05 1.50836e-05 1.79769e+308 2.4371 inf
2449 1.51603e-05 1.84155e-05 1.50836e-05 1.79769e+308 2.4371 inf
2450 1.51605e-05 1.94583e-05 1.50836e-05 1.79769e+308 2.4371 inf
2451 1.62418e-05 2.11072e-05 1.50836e-05 1.79769e+308 2.4371 inf
2452 1.57752e-05 2.11956e-05 1.50836e-05 1.79769e+308 2.4371 inf
2453 1.62948e-05 1.99212e-05 1.50836e-05 1.79769e+308 2.4371 inf
2454 1.6308e-05 1.9448e-05 1.50836e-05 1.79769e+308 2.4371 inf
2455 1.5702e-05 1.73613e-05 1.50836e-05 1.79769e+308 2.4371 inf
2456 1.5852e-05 1.92345e-05 1.50836e-05 1.79769e+308 2.4371 inf
2457 1.53843e-05 1.95861e-05 1.50836e-05 1.79769e+308 2.4371 inf
2458 1.50742e-05 1.82953e-05 1.50836e-05 1.79769e+308 2.4371 inf
2459 1.50196e-05 2.03612e-05 1.50836e-05 1.79769e+308 2.4371 inf
2460 1.55646e-05 1.87618e-05 1.50836e-05 1.79769e+308 2.4371 inf
2461 1.56775e-05 1.8973e-05 1.50836e-05 1.79769e+308 2.4371 inf
2462 3.17895e-05 2.89927e-05 1.50836e-05 1.79769e+308 2.4371 inf
2463 1.70996e-05 1.91285e-05 1.50836e-05 1.79769e+308 2.4371 inf
2464 1.51472e-05 1.91015e-05 1.50836e-05 1.79769e+308 2.4371 inf
2465 1.53617e-05 2.08519e-05 1.50836e-05 1.79769e+308 2.4371 inf
2466 1.56975e-05 1.90363e-05 1.50836e-05 1.79769e+308 2.4371 inf
2467 1.62019e-05 1.98197e-05 1.50836e-05 1.79769e+308 2.4371 inf
2468 1.65412e-05 1.97868e-05 1.50836e-05 1.79769e+308 2.4371 inf
2469 1.52182e-05 1.9175e-05 1.50836e-05 1.79769e+308 2.4371 inf
2470 1.55979e-05 2.70576e-05 1.50836e-05 1.79769e+308 2.4371 inf
2471 1.58165e-05 1.85634e-05 1.50836e-05 1.79769e+308 2.4371 inf
2472 1.56257e-05 1.91306e-05 1.50836e-05 1.79769e+308 2.4371 inf
2473 1.59461e-05 1.99197e-05 1.50836e-05 1.79769e+308 2.4371 inf
2474 1.57023e-05 1.92127e-05 1.50836e-05 1.79769e+308 2.4371 inf
2475 1.59223e-05 1.86765e-05 1.50836e-05 1.79769e+308 2.4371 inf
2476 1.62903e-05 1.93574e-05 1.50836e-05 1.79769e+308 2.4371 inf
2477 1.64154e-05 1.97929e-05 1.50836e-05 1.79769e+308 2.4371 inf
2478 3.21169e-05 2.19062e-05 1.50836e-05 1.79769e+308 2.4371 inf
2479 1.66657e-05 1.94033e-05 1.50836e-05 1.79769e+308 2.4371 inf
2480 1.56395e-05 2.04679e-05 1.50836e-05 1.79769e+308 2.4371 inf
2481 1.59181e-05 1.97064e-05 1.50836e-05 1.79769e+308 2.4371 inf
2482 1.72717e-05 1.9173e-05 1.50836e-05 1.79769e+308 2.4371 inf
2483 1.65777e-05 2.02393e-05 1.50836e-05 1.79769e+308 2.4371 inf
2484 1.61612e-05 2.0169e-05 1.50836e-05 1.79769e+308 2.4371 inf
2485 1.60199e-05 2.03981e-05 1.50836e-05 1.79769e+308 2.4371 inf
2486 1.71872e-05 2.69025e-05 1.50836e-05 1.79769e+308 2.4371 inf
2487 1.63443e-05 2.05914e-05 1.50836e-05 1.79769e+308 2.4371 inf
2488 1.68332e-05 2.20959e-05 1.50836e-05 1.79769e+308 2.4371 inf
2489 1.57452e-05 1.93928e-05 1.50836e-05 1.79769e+308 2.4371 inf
2490 1.64028e-05 2.69572e-05 1.50836e-05 1.79769e+308 2.4371 inf
2491 2.09231e-05 2.06132e-05 1.50836e-05 1.79769e+308 2.4371 inf
2492 1.59993e-05 2.6928e-05 1.50836e-05 1.79769e+308 2.4371 inf
2493 1.64892e-05 2.13744e-05 1.50836e-05 1.79769e+308 2.4371 inf
2494 1.68791e-05 2.26197e-05 1.50836e-05 1.79769e+308 2.4371 inf
2495 1.65284e-05 1.88326e-05 1.50836e-05 1.79769e+308 2.4371 inf
2496 1.68112e-05 2.13291e-05 1.50836e-05 1.79769e+308 2.4371 inf
2497 1.67809e-05 2.1277e-05 1.50836e-05 1.79769e+308 2.4371 inf
2498 1.65409e-05 2.04604e-05 1.50836e-05 1.79769e+308 2.4371 inf
2499 1.66163e-05 2.27638e-05 1.50836e-05 1.79769e+308 2.4371 inf
2500 3.20446e-05 2.0637e-05 1.50836e-05 1.79769e+308 2.4371 inf
2501 1.71064e-05 2.00331e-05 1.50836e-05 1.79769e+308 2.4371 inf
2502 1.55919e-05 2.58807e-05 1.50836e-05 1.79769e+308 2.4371 inf
2503 1.5934e-05 1.97494e-05 1.50836e-05 1.79769e+308 2.4371 inf
2504 1.64754e-05 1.9446e-05 1.50836e-05 1.79769e+308 2.4371 inf
2505 1.78709e-05 1.92568e-05 1.50836e-05 1.79769e+308 2.4371 inf
2506 1.70717e-05 1.89875e-05 1.50836e-05 1.79769e+308 2.4371 inf
torchani/resources/ani-1ccx_8x/train5/inputtrain.ipt deleted 100644 → 0
View file @ e08bb3d5
!InputFile for Force Prediction Network
sflparamsfile=rHCNO-5.2R_16-3.5A_a4-8.params
ntwkStoreDir=networks/
atomEnergyFile=sae_linfit.dat
nmax=0! Maximum number of iterations (0 = inf)
tolr=200! Tolerance - early stopping
emult=0.5!Multiplier by eta after tol switch
eta=0.001! Eta -- Learning rate
tcrit=1.0E-6! Eta termination criterion
tmax=0! Maximum time (0 = inf)
tbtchsz=2560
vbtchsz=2560
gpuid=0
ntwshr=0
nkde=2
energy=1
freezelayer=0,2
force=0
fmult=0.0
pbc=0
cmult =0.001
runtype=ANNP_CREATE_HDNN_AND_TRAIN!Create and train a HDN network
network_setup {
inputsize=384;
atom_net H $
layer [
nodes=160;
activation=9;
type=0;
]
layer [
nodes=128;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net C $
layer [
nodes=144;
activation=9;
type=0;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net N $
layer [
nodes=128;
activation=9;
type=0;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net O $
layer [
nodes=128;
activation=9;
type=0;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
}
adptlrn=OFF ! Adaptive learning (OFF,RMSPROP)
decrate=0.9 !Decay rate of RMSPROP
moment=ADAM! Turn on momentum or nesterov momentum (OFF,CNSTTEMP,TMANNEAL,REGULAR,NESTEROV)
mu=0.99 ! Mu factor for momentum
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