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Commit b3c7e0e3 authored by Kevin Ryan's avatar Kevin Ryan Committed by Gao, Xiang
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Added ANI-1ccx model with a similar loader to Builtins. (#167) 



* Added ANI-1ccx model with a similar loader to Builtins.

* Apply suggestions from code review
Co-Authored-By: default avatarLeanAndMean <40122815+LeanAndMean@users.noreply.github.com>

* Fixed linter errors.
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torchani/resources/ani-1ccx_8x/train3/networks/ANN-O.nnf-l4.bparam 0 → 100644
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torchani/resources/ani-1ccx_8x/train3/output.opt 0 → 100644
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torchani/resources/ani-1ccx_8x/train3/rHCNO-5.2R_16-3.5A_a4-8.params 0 → 100644
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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/train3/sae_linfit.dat 0 → 100644
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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/train3/tolerance.dat 0 → 100644
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torchani/resources/ani-1ccx_8x/train4/cost.dat 0 → 100644
View file @ b3c7e0e3
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1904 9.0092e-06 0.000127645 1.51699e-05 1.79769e+308 2.44406 inf
1905 9.25534e-06 2.77154e-05 1.51699e-05 1.79769e+308 2.44406 inf
1906 9.14758e-06 2.69344e-05 1.51699e-05 1.79769e+308 2.44406 inf
1907 9.24429e-06 0.00143817 1.51699e-05 1.79769e+308 2.44406 inf
1908 9.12544e-06 0.000136676 1.51699e-05 1.79769e+308 2.44406 inf
1909 9.17242e-06 0.000127383 1.51699e-05 1.79769e+308 2.44406 inf
1910 9.57655e-06 0.000125495 1.51699e-05 1.79769e+308 2.44406 inf
1911 9.38486e-06 3.69142e-05 1.51699e-05 1.79769e+308 2.44406 inf
1912 9.00123e-06 1.70043e-05 1.51699e-05 1.79769e+308 2.44406 inf
1913 9.16974e-06 0.00024486 1.51699e-05 1.79769e+308 2.44406 inf
1914 9.26569e-06 0.000126598 1.51699e-05 1.79769e+308 2.44406 inf
1915 9.21189e-06 1.81753e-05 1.51699e-05 1.79769e+308 2.44406 inf
1916 9.41117e-06 2.59306e-05 1.51699e-05 1.79769e+308 2.44406 inf
1917 9.13977e-06 1.71692e-05 1.51699e-05 1.79769e+308 2.44406 inf
1918 9.17894e-06 2.6887e-05 1.51699e-05 1.79769e+308 2.44406 inf
1919 9.35658e-06 1.64809e-05 1.51699e-05 1.79769e+308 2.44406 inf
1920 9.4138e-06 0.000139556 1.51699e-05 1.79769e+308 2.44406 inf
1921 8.97543e-06 0.000126389 1.51699e-05 1.79769e+308 2.44406 inf
1922 9.44082e-06 1.76623e-05 1.51699e-05 1.79769e+308 2.44406 inf
1923 9.4644e-06 1.58398e-05 1.51699e-05 1.79769e+308 2.44406 inf
1924 9.42882e-06 1.63309e-05 1.51699e-05 1.79769e+308 2.44406 inf
1925 9.05917e-06 0.000127024 1.51699e-05 1.79769e+308 2.44406 inf
1926 9.40735e-06 2.67532e-05 1.51699e-05 1.79769e+308 2.44406 inf
1927 9.32226e-06 2.61985e-05 1.51699e-05 1.79769e+308 2.44406 inf
1928 9.52723e-06 0.000128118 1.51699e-05 1.79769e+308 2.44406 inf
1929 9.27665e-06 1.68489e-05 1.51699e-05 1.79769e+308 2.44406 inf
1930 9.1942e-06 1.66995e-05 1.51699e-05 1.79769e+308 2.44406 inf
1931 9.4723e-06 0.000255061 1.51699e-05 1.79769e+308 2.44406 inf
1932 9.17729e-06 2.66407e-05 1.51699e-05 1.79769e+308 2.44406 inf
1933 9.31565e-06 0.00012625 1.51699e-05 1.79769e+308 2.44406 inf
1934 9.2658e-06 2.52614e-05 1.51699e-05 1.79769e+308 2.44406 inf
1935 9.40053e-06 1.78437e-05 1.51699e-05 1.79769e+308 2.44406 inf
1936 9.04862e-06 0.000136028 1.51699e-05 1.79769e+308 2.44406 inf
1937 9.12133e-06 2.65618e-05 1.51699e-05 1.79769e+308 2.44406 inf
1938 9.33059e-06 0.000144084 1.51699e-05 1.79769e+308 2.44406 inf
1939 9.20535e-06 0.000128805 1.51699e-05 1.79769e+308 2.44406 inf
1940 9.68634e-06 0.000141187 1.51699e-05 1.79769e+308 2.44406 inf
1941 9.56905e-06 0.000129202 1.51699e-05 1.79769e+308 2.44406 inf
1942 9.34518e-06 2.65331e-05 1.51699e-05 1.79769e+308 2.44406 inf
1943 9.3068e-06 0.000136025 1.51699e-05 1.79769e+308 2.44406 inf
1944 9.24554e-06 1.59653e-05 1.51699e-05 1.79769e+308 2.44406 inf
1945 9.70305e-06 0.000136702 1.51699e-05 1.79769e+308 2.44406 inf
1946 9.7069e-06 1.65536e-05 1.51699e-05 1.79769e+308 2.44406 inf
1947 9.68423e-06 2.61567e-05 1.51699e-05 1.79769e+308 2.44406 inf
1948 9.32174e-06 0.000129756 1.51699e-05 1.79769e+308 2.44406 inf
1949 9.37191e-06 2.72311e-05 1.51699e-05 1.79769e+308 2.44406 inf
1950 9.21335e-06 0.000139736 1.51699e-05 1.79769e+308 2.44406 inf
1951 9.24323e-06 1.63485e-05 1.51699e-05 1.79769e+308 2.44406 inf
1952 9.37138e-06 2.74237e-05 1.51699e-05 1.79769e+308 2.44406 inf
1953 9.60287e-06 0.000128086 1.51699e-05 1.79769e+308 2.44406 inf
1954 9.2912e-06 2.64639e-05 1.51699e-05 1.79769e+308 2.44406 inf
1955 9.42325e-06 1.73418e-05 1.51699e-05 1.79769e+308 2.44406 inf
1956 9.6035e-06 1.81547e-05 1.51699e-05 1.79769e+308 2.44406 inf
1957 9.27773e-06 2.74301e-05 1.51699e-05 1.79769e+308 2.44406 inf
1958 9.51228e-06 0.000130923 1.51699e-05 1.79769e+308 2.44406 inf
1959 9.32466e-06 0.000140721 1.51699e-05 1.79769e+308 2.44406 inf
1960 9.23732e-06 0.000238828 1.51699e-05 1.79769e+308 2.44406 inf
1961 9.40664e-06 2.71398e-05 1.51699e-05 1.79769e+308 2.44406 inf
1962 9.47493e-06 2.65448e-05 1.51699e-05 1.79769e+308 2.44406 inf
1963 9.42786e-06 1.77399e-05 1.51699e-05 1.79769e+308 2.44406 inf
1964 9.9961e-06 0.000129129 1.51699e-05 1.79769e+308 2.44406 inf
1965 9.66342e-06 0.000137266 1.51699e-05 1.79769e+308 2.44406 inf
1966 9.39639e-06 2.61137e-05 1.51699e-05 1.79769e+308 2.44406 inf
1967 9.48665e-06 1.71973e-05 1.51699e-05 1.79769e+308 2.44406 inf
1968 9.72815e-06 2.68369e-05 1.51699e-05 1.79769e+308 2.44406 inf
1969 9.60319e-06 0.000143093 1.51699e-05 1.79769e+308 2.44406 inf
1970 9.57032e-06 0.000140655 1.51699e-05 1.79769e+308 2.44406 inf
1971 9.56183e-06 1.59027e-05 1.51699e-05 1.79769e+308 2.44406 inf
1972 9.62831e-06 2.61703e-05 1.51699e-05 1.79769e+308 2.44406 inf
1973 9.14597e-06 0.000136743 1.51699e-05 1.79769e+308 2.44406 inf
1974 9.40667e-06 1.74958e-05 1.51699e-05 1.79769e+308 2.44406 inf
1975 9.54544e-06 1.57188e-05 1.51699e-05 1.79769e+308 2.44406 inf
1976 9.98424e-06 0.000269644 1.51699e-05 1.79769e+308 2.44406 inf
1977 9.55009e-06 2.70654e-05 1.51699e-05 1.79769e+308 2.44406 inf
1978 9.45787e-06 1.74129e-05 1.51699e-05 1.79769e+308 2.44406 inf
1979 9.54794e-06 1.68595e-05 1.51699e-05 1.79769e+308 2.44406 inf
1980 9.7958e-06 0.000129277 1.51699e-05 1.79769e+308 2.44406 inf
1981 9.65703e-06 1.71346e-05 1.51699e-05 1.79769e+308 2.44406 inf
1982 9.58991e-06 0.000130675 1.51699e-05 1.79769e+308 2.44406 inf
1983 9.47264e-06 1.66597e-05 1.51699e-05 1.79769e+308 2.44406 inf
1984 9.38459e-06 1.6697e-05 1.51699e-05 1.79769e+308 2.44406 inf
1985 9.35678e-06 0.000146447 1.51699e-05 1.79769e+308 2.44406 inf
1986 9.60426e-06 0.000130903 1.51699e-05 1.79769e+308 2.44406 inf
1987 9.48201e-06 0.00148958 1.51699e-05 1.79769e+308 2.44406 inf
1988 9.60182e-06 0.000242818 1.51699e-05 1.79769e+308 2.44406 inf
1989 9.51808e-06 1.59728e-05 1.51699e-05 1.79769e+308 2.44406 inf
1990 9.38907e-06 0.000131754 1.51699e-05 1.79769e+308 2.44406 inf
1991 9.25484e-06 2.86885e-05 1.51699e-05 1.79769e+308 2.44406 inf
1992 9.42791e-06 1.64897e-05 1.51699e-05 1.79769e+308 2.44406 inf
1993 9.47282e-06 1.57683e-05 1.51699e-05 1.79769e+308 2.44406 inf
1994 9.5532e-06 2.81816e-05 1.51699e-05 1.79769e+308 2.44406 inf
1995 9.64492e-06 1.69612e-05 1.51699e-05 1.79769e+308 2.44406 inf
1996 1.03354e-05 2.69997e-05 1.51699e-05 1.79769e+308 2.44406 inf
1997 1.0066e-05 2.73552e-05 1.51699e-05 1.79769e+308 2.44406 inf
1998 1.00598e-05 0.0015159 1.51699e-05 1.79769e+308 2.44406 inf
1999 1.00724e-05 1.73198e-05 1.51699e-05 1.79769e+308 2.44406 inf
2000 9.95796e-06 1.57388e-05 1.51699e-05 1.79769e+308 2.44406 inf
2001 1.01618e-05 1.59378e-05 1.51699e-05 1.79769e+308 2.44406 inf
2002 1.08397e-05 0.000130835 1.51699e-05 1.79769e+308 2.44406 inf
2003 1.00689e-05 0.000132289 1.51699e-05 1.79769e+308 2.44406 inf
2004 1.01341e-05 2.87881e-05 1.51699e-05 1.79769e+308 2.44406 inf
2005 1.02698e-05 0.000260425 1.51699e-05 1.79769e+308 2.44406 inf
2006 1.00059e-05 3.98624e-05 1.51699e-05 1.79769e+308 2.44406 inf
2007 9.46899e-06 0.00014233 1.51699e-05 1.79769e+308 2.44406 inf
2008 9.74033e-06 0.000140755 1.51699e-05 1.79769e+308 2.44406 inf
2009 1.00942e-05 0.000142293 1.51699e-05 1.79769e+308 2.44406 inf
2010 1.00275e-05 1.58623e-05 1.51699e-05 1.79769e+308 2.44406 inf
2011 1.05176e-05 2.66951e-05 1.51699e-05 1.79769e+308 2.44406 inf
2012 1.02466e-05 2.69816e-05 1.51699e-05 1.79769e+308 2.44406 inf
2013 9.85151e-06 1.6783e-05 1.51699e-05 1.79769e+308 2.44406 inf
2014 1.03575e-05 1.64712e-05 1.51699e-05 1.79769e+308 2.44406 inf
2015 9.69996e-06 2.60903e-05 1.51699e-05 1.79769e+308 2.44406 inf
2016 9.94335e-06 0.000130133 1.51699e-05 1.79769e+308 2.44406 inf
2017 1.01087e-05 1.56036e-05 1.51699e-05 1.79769e+308 2.44406 inf
2018 9.83394e-06 0.00150461 1.51699e-05 1.79769e+308 2.44406 inf
2019 1.0065e-05 0.000130657 1.51699e-05 1.79769e+308 2.44406 inf
2020 9.84466e-06 2.72762e-05 1.51699e-05 1.79769e+308 2.44406 inf
2021 1.02281e-05 0.000158484 1.51699e-05 1.79769e+308 2.44406 inf
2022 1.00979e-05 1.70821e-05 1.51699e-05 1.79769e+308 2.44406 inf
2023 1.0333e-05 2.71777e-05 1.51699e-05 1.79769e+308 2.44406 inf
2024 9.86608e-06 2.64712e-05 1.51699e-05 1.79769e+308 2.44406 inf
2025 1.00724e-05 1.61539e-05 1.51699e-05 1.79769e+308 2.44406 inf
2026 9.75634e-06 1.69082e-05 1.51699e-05 1.79769e+308 2.44406 inf
2027 9.81956e-06 2.7118e-05 1.51699e-05 1.79769e+308 2.44406 inf
2028 9.60634e-06 0.000130604 1.51699e-05 1.79769e+308 2.44406 inf
2029 9.6864e-06 1.64757e-05 1.51699e-05 1.79769e+308 2.44406 inf
2030 9.97251e-06 0.000132331 1.51699e-05 1.79769e+308 2.44406 inf
2031 9.96216e-06 1.62754e-05 1.51699e-05 1.79769e+308 2.44406 inf
2032 1.01699e-05 1.71457e-05 1.51699e-05 1.79769e+308 2.44406 inf
2033 1.01801e-05 2.82309e-05 1.51699e-05 1.79769e+308 2.44406 inf
2034 9.82664e-06 0.000152519 1.51699e-05 1.79769e+308 2.44406 inf
2035 1.00074e-05 0.000144216 1.51699e-05 1.79769e+308 2.44406 inf
2036 9.94095e-06 1.54407e-05 1.51699e-05 1.79769e+308 2.44406 inf
2037 9.78927e-06 0.000144077 1.51699e-05 1.79769e+308 2.44406 inf
2038 1.02657e-05 0.000267403 1.51699e-05 1.79769e+308 2.44406 inf
2039 1.02367e-05 0.00027079 1.51699e-05 1.79769e+308 2.44406 inf
2040 1.04618e-05 2.62745e-05 1.51699e-05 1.79769e+308 2.44406 inf
2041 9.9025e-06 1.61556e-05 1.51699e-05 1.79769e+308 2.44406 inf
2042 9.83092e-06 0.000131756 1.51699e-05 1.79769e+308 2.44406 inf
2043 1.00935e-05 1.7236e-05 1.51699e-05 1.79769e+308 2.44406 inf
2044 9.87972e-06 2.55513e-05 1.51699e-05 1.79769e+308 2.44406 inf
2045 9.92503e-06 0.00151109 1.51699e-05 1.79769e+308 2.44406 inf
2046 1.02022e-05 0.00014179 1.51699e-05 1.79769e+308 2.44406 inf
2047 1.0152e-05 1.63016e-05 1.51699e-05 1.79769e+308 2.44406 inf
2048 9.8761e-06 2.75655e-05 1.51699e-05 1.79769e+308 2.44406 inf
2049 1.01362e-05 2.67186e-05 1.51699e-05 1.79769e+308 2.44406 inf
2050 1.01734e-05 1.6272e-05 1.51699e-05 1.79769e+308 2.44406 inf
2051 9.73455e-06 0.000131008 1.51699e-05 1.79769e+308 2.44406 inf
2052 9.7981e-06 0.000141937 1.51699e-05 1.79769e+308 2.44406 inf
2053 9.66625e-06 0.000246776 1.51699e-05 1.79769e+308 2.44406 inf
2054 9.70383e-06 2.84291e-05 1.51699e-05 1.79769e+308 2.44406 inf
2055 9.84062e-06 0.000259249 1.51699e-05 1.79769e+308 2.44406 inf
2056 1.02735e-05 2.77842e-05 1.51699e-05 1.79769e+308 2.44406 inf
2057 1.04922e-05 0.000154356 1.51699e-05 1.79769e+308 2.44406 inf
2058 1.01739e-05 0.000141584 1.51699e-05 1.79769e+308 2.44406 inf
2059 1.01461e-05 1.72039e-05 1.51699e-05 1.79769e+308 2.44406 inf
2060 1.00959e-05 2.78289e-05 1.51699e-05 1.79769e+308 2.44406 inf
2061 1.01288e-05 0.000261536 1.51699e-05 1.79769e+308 2.44406 inf
2062 1.0168e-05 0.0015268 1.51699e-05 1.79769e+308 2.44406 inf
2063 1.00347e-05 0.000134679 1.51699e-05 1.79769e+308 2.44406 inf
2064 1.00025e-05 1.73003e-05 1.51699e-05 1.79769e+308 2.44406 inf
2065 1.0482e-05 2.74539e-05 1.51699e-05 1.79769e+308 2.44406 inf
2066 1.0079e-05 1.60789e-05 1.51699e-05 1.79769e+308 2.44406 inf
2067 1.00831e-05 1.69313e-05 1.51699e-05 1.79769e+308 2.44406 inf
2068 9.91061e-06 0.000130603 1.51699e-05 1.79769e+308 2.44406 inf
2069 1.03199e-05 1.8242e-05 1.51699e-05 1.79769e+308 2.44406 inf
2070 1.08305e-05 0.000146879 1.51699e-05 1.79769e+308 2.44406 inf
2071 1.04461e-05 0.000134331 1.51699e-05 1.79769e+308 2.44406 inf
2072 1.02962e-05 2.74016e-05 1.51699e-05 1.79769e+308 2.44406 inf
2073 1.04052e-05 2.74591e-05 1.51699e-05 1.79769e+308 2.44406 inf
2074 1.02621e-05 0.000132552 1.51699e-05 1.79769e+308 2.44406 inf
2075 1.03579e-05 0.000133566 1.51699e-05 1.79769e+308 2.44406 inf
2076 1.0434e-05 2.61819e-05 1.51699e-05 1.79769e+308 2.44406 inf
2077 1.05691e-05 2.82522e-05 1.51699e-05 1.79769e+308 2.44406 inf
2078 1.02969e-05 0.00168081 1.51699e-05 1.79769e+308 2.44406 inf
2079 1.00779e-05 2.8127e-05 1.51699e-05 1.79769e+308 2.44406 inf
2080 1.02976e-05 1.57869e-05 1.51699e-05 1.79769e+308 2.44406 inf
2081 1.05818e-05 2.73116e-05 1.51699e-05 1.79769e+308 2.44406 inf
2082 1.07106e-05 3.91818e-05 1.51699e-05 1.79769e+308 2.44406 inf
2083 1.03692e-05 0.000155627 1.51699e-05 1.79769e+308 2.44406 inf
2084 1.04122e-05 2.84716e-05 1.51699e-05 1.79769e+308 2.44406 inf
2085 1.025e-05 0.0015513 1.51699e-05 1.79769e+308 2.44406 inf
2086 1.01757e-05 1.5781e-05 1.51699e-05 1.79769e+308 2.44406 inf
2087 1.0369e-05 3.08639e-05 1.51699e-05 1.79769e+308 2.44406 inf
2088 1.02612e-05 1.72055e-05 1.51699e-05 1.79769e+308 2.44406 inf
2089 1.0177e-05 2.70889e-05 1.51699e-05 1.79769e+308 2.44406 inf
2090 1.01308e-05 0.00014537 1.51699e-05 1.79769e+308 2.44406 inf
2091 1.06621e-05 0.000134704 1.51699e-05 1.79769e+308 2.44406 inf
2092 1.32369e-05 4.28815e-05 1.51699e-05 1.79769e+308 2.44406 inf
2093 1.198e-05 1.80357e-05 1.51699e-05 1.79769e+308 2.44406 inf
2094 1.04439e-05 1.58772e-05 1.51699e-05 1.79769e+308 2.44406 inf
2095 1.02779e-05 0.000147601 1.51699e-05 1.79769e+308 2.44406 inf
2096 1.08653e-05 1.69001e-05 1.51699e-05 1.79769e+308 2.44406 inf
2097 1.00453e-05 2.80037e-05 1.51699e-05 1.79769e+308 2.44406 inf
2098 1.02409e-05 1.83786e-05 1.51699e-05 1.79769e+308 2.44406 inf
2099 1.02903e-05 0.000158879 1.51699e-05 1.79769e+308 2.44406 inf
2100 1.06011e-05 0.00155146 1.51699e-05 1.79769e+308 2.44406 inf
2101 1.09743e-05 1.73269e-05 1.51699e-05 1.79769e+308 2.44406 inf
2102 1.04143e-05 3.87483e-05 1.51699e-05 1.79769e+308 2.44406 inf
2103 1.06537e-05 0.000145386 1.51699e-05 1.79769e+308 2.44406 inf
2104 1.04107e-05 1.71055e-05 1.51699e-05 1.79769e+308 2.44406 inf
2105 1.09689e-05 1.66078e-05 1.51699e-05 1.79769e+308 2.44406 inf
2106 1.04376e-05 1.73295e-05 1.51699e-05 1.79769e+308 2.44406 inf
2107 1.03126e-05 1.67117e-05 1.51699e-05 1.79769e+308 2.44406 inf
2108 1.0647e-05 1.61513e-05 1.51699e-05 1.79769e+308 2.44406 inf
2109 1.00977e-05 0.00159021 1.51699e-05 1.79769e+308 2.44406 inf
2110 1.07378e-05 0.0015683 1.51699e-05 1.79769e+308 2.44406 inf
2111 1.05847e-05 0.000255149 1.51699e-05 1.79769e+308 2.44406 inf
2112 1.03552e-05 0.00013676 1.51699e-05 1.79769e+308 2.44406 inf
2113 1.06332e-05 4.09031e-05 1.51699e-05 1.79769e+308 2.44406 inf
2114 1.04108e-05 1.63267e-05 1.51699e-05 1.79769e+308 2.44406 inf
2115 1.02536e-05 0.000135643 1.51699e-05 1.79769e+308 2.44406 inf
2116 1.04274e-05 2.84509e-05 1.51699e-05 1.79769e+308 2.44406 inf
2117 1.01207e-05 1.69615e-05 1.51699e-05 1.79769e+308 2.44406 inf
2118 1.02592e-05 1.66417e-05 1.51699e-05 1.79769e+308 2.44406 inf
2119 1.07031e-05 1.69452e-05 1.51699e-05 1.79769e+308 2.44406 inf
2120 1.08886e-05 0.000136324 1.51699e-05 1.79769e+308 2.44406 inf
2121 1.08143e-05 3.09452e-05 1.51699e-05 1.79769e+308 2.44406 inf
2122 1.06369e-05 2.84113e-05 1.51699e-05 1.79769e+308 2.44406 inf
2123 1.01594e-05 0.000133962 1.51699e-05 1.79769e+308 2.44406 inf
2124 1.08647e-05 1.63569e-05 1.51699e-05 1.79769e+308 2.44406 inf
2125 1.0317e-05 0.000158483 1.51699e-05 1.79769e+308 2.44406 inf
2126 1.05457e-05 1.5364e-05 1.51699e-05 1.79769e+308 2.44406 inf
2127 1.03649e-05 0.000276299 1.51699e-05 1.79769e+308 2.44406 inf
2128 1.08287e-05 0.000145583 1.51699e-05 1.79769e+308 2.44406 inf
2129 1.10885e-05 1.91299e-05 1.51699e-05 1.79769e+308 2.44406 inf
2130 1.08033e-05 4.09226e-05 1.51699e-05 1.79769e+308 2.44406 inf
2131 1.07599e-05 0.000135401 1.51699e-05 1.79769e+308 2.44406 inf
2132 1.03234e-05 0.000136327 1.51699e-05 1.79769e+308 2.44406 inf
2133 1.0557e-05 0.000145285 1.51699e-05 1.79769e+308 2.44406 inf
2134 1.08679e-05 0.000136562 1.51699e-05 1.79769e+308 2.44406 inf
2135 1.07896e-05 1.62507e-05 1.51699e-05 1.79769e+308 2.44406 inf
2136 1.06543e-05 2.74529e-05 1.51699e-05 1.79769e+308 2.44406 inf
2137 1.05273e-05 4.06271e-05 1.51699e-05 1.79769e+308 2.44406 inf
2138 1.1273e-05 0.000137306 1.51699e-05 1.79769e+308 2.44406 inf
2139 1.05537e-05 1.70909e-05 1.51699e-05 1.79769e+308 2.44406 inf
2140 1.03767e-05 1.79205e-05 1.51699e-05 1.79769e+308 2.44406 inf
2141 1.06719e-05 2.90929e-05 1.51699e-05 1.79769e+308 2.44406 inf
2142 1.08336e-05 1.69419e-05 1.51699e-05 1.79769e+308 2.44406 inf
2143 1.03767e-05 2.87452e-05 1.51699e-05 1.79769e+308 2.44406 inf
2144 1.05961e-05 1.8183e-05 1.51699e-05 1.79769e+308 2.44406 inf
2145 1.04923e-05 0.00028775 1.51699e-05 1.79769e+308 2.44406 inf
2146 1.06681e-05 2.79787e-05 1.51699e-05 1.79769e+308 2.44406 inf
2147 1.08503e-05 0.000283173 1.51699e-05 1.79769e+308 2.44406 inf
2148 1.09879e-05 0.000147492 1.51699e-05 1.79769e+308 2.44406 inf
2149 1.08568e-05 0.00014828 1.51699e-05 1.79769e+308 2.44406 inf
2150 1.04657e-05 0.000135987 1.51699e-05 1.79769e+308 2.44406 inf
2151 1.05506e-05 0.00014729 1.51699e-05 1.79769e+308 2.44406 inf
2152 1.08763e-05 1.70175e-05 1.51699e-05 1.79769e+308 2.44406 inf
2153 1.05529e-05 0.000401176 1.51699e-05 1.79769e+308 2.44406 inf
2154 1.10555e-05 0.000135379 1.51699e-05 1.79769e+308 2.44406 inf
2155 1.04904e-05 1.63566e-05 1.51699e-05 1.79769e+308 2.44406 inf
2156 1.08161e-05 0.000136812 1.51699e-05 1.79769e+308 2.44406 inf
2157 1.06654e-05 0.000146026 1.51699e-05 1.79769e+308 2.44406 inf
2158 1.04762e-05 1.57467e-05 1.51699e-05 1.79769e+308 2.44406 inf
2159 1.07922e-05 1.72442e-05 1.51699e-05 1.79769e+308 2.44406 inf
2160 1.08275e-05 1.62088e-05 1.51699e-05 1.79769e+308 2.44406 inf
2161 1.05618e-05 1.86397e-05 1.51699e-05 1.79769e+308 2.44406 inf
2162 1.06767e-05 2.91682e-05 1.51699e-05 1.79769e+308 2.44406 inf
2163 1.05757e-05 1.91146e-05 1.51699e-05 1.79769e+308 2.44406 inf
2164 1.08538e-05 0.000133737 1.51699e-05 1.79769e+308 2.44406 inf
2165 1.05364e-05 1.73903e-05 1.51699e-05 1.79769e+308 2.44406 inf
2166 1.07168e-05 1.74886e-05 1.51699e-05 1.79769e+308 2.44406 inf
2167 1.05246e-05 0.0015843 1.51699e-05 1.79769e+308 2.44406 inf
2168 1.05099e-05 1.74594e-05 1.51699e-05 1.79769e+308 2.44406 inf
2169 1.05318e-05 2.97637e-05 1.51699e-05 1.79769e+308 2.44406 inf
2170 1.04728e-05 0.000287085 1.51699e-05 1.79769e+308 2.44406 inf
2171 1.05215e-05 2.71306e-05 1.51699e-05 1.79769e+308 2.44406 inf
2172 1.10048e-05 2.86543e-05 1.51699e-05 1.79769e+308 2.44406 inf
2173 1.06022e-05 3.02317e-05 1.51699e-05 1.79769e+308 2.44406 inf
2174 1.0929e-05 1.64909e-05 1.51699e-05 1.79769e+308 2.44406 inf
2175 1.07965e-05 1.84498e-05 1.51699e-05 1.79769e+308 2.44406 inf
2176 1.04228e-05 1.68881e-05 1.51699e-05 1.79769e+308 2.44406 inf
2177 1.09516e-05 0.000138827 1.51699e-05 1.79769e+308 2.44406 inf
2178 1.10182e-05 0.000161646 1.51699e-05 1.79769e+308 2.44406 inf
2179 1.09278e-05 1.68022e-05 1.51699e-05 1.79769e+308 2.44406 inf
2180 1.10792e-05 0.000151774 1.51699e-05 1.79769e+308 2.44406 inf
2181 1.0617e-05 2.79433e-05 1.51699e-05 1.79769e+308 2.44406 inf
2182 1.11038e-05 0.000148243 1.51699e-05 1.79769e+308 2.44406 inf
2183 1.10313e-05 0.000140034 1.51699e-05 1.79769e+308 2.44406 inf
2184 1.08422e-05 0.000137203 1.51699e-05 1.79769e+308 2.44406 inf
2185 1.10606e-05 0.000136965 1.51699e-05 1.79769e+308 2.44406 inf
2186 1.06406e-05 0.000256526 1.51699e-05 1.79769e+308 2.44406 inf
2187 1.07474e-05 1.68486e-05 1.51699e-05 1.79769e+308 2.44406 inf
2188 1.13918e-05 2.9064e-05 1.51699e-05 1.79769e+308 2.44406 inf
2189 1.10045e-05 0.000258585 1.51699e-05 1.79769e+308 2.44406 inf
2190 1.1135e-05 0.000150511 1.51699e-05 1.79769e+308 2.44406 inf
2191 1.10102e-05 2.91745e-05 1.51699e-05 1.79769e+308 2.44406 inf
2192 1.09251e-05 3.08467e-05 1.51699e-05 1.79769e+308 2.44406 inf
2193 1.05478e-05 2.83865e-05 1.51699e-05 1.79769e+308 2.44406 inf
2194 1.03847e-05 0.000166397 1.51699e-05 1.79769e+308 2.44406 inf
2195 1.0584e-05 1.78013e-05 1.51699e-05 1.79769e+308 2.44406 inf
2196 1.10595e-05 1.72608e-05 1.51699e-05 1.79769e+308 2.44406 inf
2197 1.10074e-05 0.000147774 1.51699e-05 1.79769e+308 2.44406 inf
2198 1.09998e-05 0.000148028 1.51699e-05 1.79769e+308 2.44406 inf
2199 1.1345e-05 0.000159874 1.51699e-05 1.79769e+308 2.44406 inf
2200 1.14382e-05 1.61484e-05 1.51699e-05 1.79769e+308 2.44406 inf
2201 1.12258e-05 0.000138231 1.51699e-05 1.79769e+308 2.44406 inf
2202 1.37831e-05 1.78956e-05 1.51699e-05 1.79769e+308 2.44406 inf
2203 1.1651e-05 2.50868e-05 1.51699e-05 1.79769e+308 2.44406 inf
2204 1.12432e-05 0.000137793 1.51699e-05 1.79769e+308 2.44406 inf
2205 1.14035e-05 0.00015082 1.51699e-05 1.79769e+308 2.44406 inf
2206 1.11672e-05 1.67657e-05 1.51699e-05 1.79769e+308 2.44406 inf
2207 1.13454e-05 0.000149571 1.51699e-05 1.79769e+308 2.44406 inf
2208 1.16292e-05 2.85858e-05 1.51699e-05 1.79769e+308 2.44406 inf
2209 1.1337e-05 0.00159114 1.51699e-05 1.79769e+308 2.44406 inf
2210 1.09243e-05 1.77021e-05 1.51699e-05 1.79769e+308 2.44406 inf
2211 1.15275e-05 0.00161509 1.51699e-05 1.79769e+308 2.44406 inf
2212 1.12521e-05 1.52277e-05 1.51699e-05 1.79769e+308 2.44406 inf
2213 1.11739e-05 0.000139529 1.51699e-05 1.79769e+308 2.44406 inf
2214 1.11305e-05 0.000139396 1.51699e-05 1.79769e+308 2.44406 inf
2215 1.16251e-05 1.65473e-05 1.51699e-05 1.79769e+308 2.44406 inf
2216 1.1354e-05 0.000169646 1.51699e-05 1.79769e+308 2.44406 inf
2217 1.15338e-05 0.00013842 1.51699e-05 1.79769e+308 2.44406 inf
2218 1.13977e-05 1.70253e-05 1.51699e-05 1.79769e+308 2.44406 inf
2219 1.15207e-05 0.00013652 1.51699e-05 1.79769e+308 2.44406 inf
2220 1.12852e-05 0.000139687 1.51699e-05 1.79769e+308 2.44406 inf
2221 1.92149e-05 0.0015844 1.51699e-05 1.79769e+308 2.44406 inf
2222 1.1654e-05 2.51575e-05 1.51699e-05 1.79769e+308 2.44406 inf
2223 1.23273e-05 0.000149043 1.51699e-05 1.79769e+308 2.44406 inf
2224 1.17267e-05 1.78466e-05 1.51699e-05 1.79769e+308 2.44406 inf
2225 1.15364e-05 0.000164307 1.51699e-05 1.79769e+308 2.44406 inf
2226 1.14585e-05 1.56303e-05 1.51699e-05 1.79769e+308 2.44406 inf
2227 1.15127e-05 3.91955e-05 1.51699e-05 1.79769e+308 2.44406 inf
2228 1.19949e-05 0.0017354 1.51699e-05 1.79769e+308 2.44406 inf
2229 1.21716e-05 0.000137589 1.51699e-05 1.79769e+308 2.44406 inf
2230 1.18514e-05 1.69997e-05 1.51699e-05 1.79769e+308 2.44406 inf
2231 1.14902e-05 0.000138414 1.51699e-05 1.79769e+308 2.44406 inf
2232 1.16811e-05 0.000166948 1.51699e-05 1.79769e+308 2.44406 inf
2233 1.18235e-05 0.000268867 1.51699e-05 1.79769e+308 2.44406 inf
2234 1.12286e-05 0.000149776 1.51699e-05 1.79769e+308 2.44406 inf
2235 1.15261e-05 0.00014961 1.51699e-05 1.79769e+308 2.44406 inf
2236 1.12729e-05 0.000140338 1.51699e-05 1.79769e+308 2.44406 inf
2237 1.14767e-05 0.000152147 1.51699e-05 1.79769e+308 2.44406 inf
2238 1.17619e-05 0.000138611 1.51699e-05 1.79769e+308 2.44406 inf
2239 1.14866e-05 3.0746e-05 1.51699e-05 1.79769e+308 2.44406 inf
2240 1.17874e-05 1.72847e-05 1.51699e-05 1.79769e+308 2.44406 inf
2241 1.1881e-05 0.000168311 1.51699e-05 1.79769e+308 2.44406 inf
2242 1.15277e-05 1.66216e-05 1.51699e-05 1.79769e+308 2.44406 inf
2243 1.19371e-05 1.65666e-05 1.51699e-05 1.79769e+308 2.44406 inf
2244 1.12703e-05 0.000152161 1.51699e-05 1.79769e+308 2.44406 inf
2245 1.20309e-05 0.000138064 1.51699e-05 1.79769e+308 2.44406 inf
2246 1.12345e-05 0.000139549 1.51699e-05 1.79769e+308 2.44406 inf
2247 1.14661e-05 2.77275e-05 1.51699e-05 1.79769e+308 2.44406 inf
2248 1.11281e-05 0.000168411 1.51699e-05 1.79769e+308 2.44406 inf
2249 1.15283e-05 0.000139066 1.51699e-05 1.79769e+308 2.44406 inf
2250 1.16834e-05 1.78532e-05 1.51699e-05 1.79769e+308 2.44406 inf
2251 1.14458e-05 1.7384e-05 1.51699e-05 1.79769e+308 2.44406 inf
2252 1.14188e-05 0.00016143 1.51699e-05 1.79769e+308 2.44406 inf
2253 1.16058e-05 2.96401e-05 1.51699e-05 1.79769e+308 2.44406 inf
2254 1.22148e-05 2.78429e-05 1.51699e-05 1.79769e+308 2.44406 inf
2255 1.18616e-05 1.85546e-05 1.51699e-05 1.79769e+308 2.44406 inf
2256 1.2435e-05 0.000135342 1.51699e-05 1.79769e+308 2.44406 inf
2257 1.16788e-05 0.000137263 1.51699e-05 1.79769e+308 2.44406 inf
2258 1.16435e-05 0.000157669 1.51699e-05 1.79769e+308 2.44406 inf
2259 1.20279e-05 1.6941e-05 1.51699e-05 1.79769e+308 2.44406 inf
2260 1.24781e-05 0.000137879 1.51699e-05 1.79769e+308 2.44406 inf
2261 1.18402e-05 1.80263e-05 1.51699e-05 1.79769e+308 2.44406 inf
2262 1.23076e-05 1.79717e-05 1.51699e-05 1.79769e+308 2.44406 inf
2263 1.17323e-05 0.000149291 1.51699e-05 1.79769e+308 2.44406 inf
2264 1.15105e-05 1.67433e-05 1.51699e-05 1.79769e+308 2.44406 inf
2265 1.2515e-05 1.6299e-05 1.51699e-05 1.79769e+308 2.44406 inf
2266 1.22352e-05 1.84701e-05 1.51699e-05 1.79769e+308 2.44406 inf
2267 1.2287e-05 1.72636e-05 1.51699e-05 1.79769e+308 2.44406 inf
2268 1.16639e-05 0.00015227 1.51699e-05 1.79769e+308 2.44406 inf
2269 1.21755e-05 2.79707e-05 1.51699e-05 1.79769e+308 2.44406 inf
2270 1.17031e-05 0.000161499 1.51699e-05 1.79769e+308 2.44406 inf
2271 1.18601e-05 0.000150525 1.51699e-05 1.79769e+308 2.44406 inf
2272 1.20269e-05 0.000155391 1.51699e-05 1.79769e+308 2.44406 inf
2273 1.175e-05 1.68043e-05 1.51699e-05 1.79769e+308 2.44406 inf
2274 1.20786e-05 1.63838e-05 1.51699e-05 1.79769e+308 2.44406 inf
2275 1.13756e-05 1.62603e-05 1.51699e-05 1.79769e+308 2.44406 inf
2276 1.41736e-05 0.000166398 1.51699e-05 1.79769e+308 2.44406 inf
2277 1.19396e-05 4.32083e-05 1.51699e-05 1.79769e+308 2.44406 inf
2278 1.21991e-05 3.01355e-05 1.51699e-05 1.79769e+308 2.44406 inf
2279 1.35629e-05 2.05992e-05 1.51699e-05 1.79769e+308 2.44406 inf
2280 1.23539e-05 1.6535e-05 1.51699e-05 1.79769e+308 2.44406 inf
2281 1.26469e-05 0.000139275 1.51699e-05 1.79769e+308 2.44406 inf
2282 1.27418e-05 2.98935e-05 1.51699e-05 1.79769e+308 2.44406 inf
2283 1.2129e-05 0.000139353 1.51699e-05 1.79769e+308 2.44406 inf
2284 1.21837e-05 3.02273e-05 1.51699e-05 1.79769e+308 2.44406 inf
2285 1.19092e-05 0.000152762 1.51699e-05 1.79769e+308 2.44406 inf
2286 1.2466e-05 0.000151014 1.51699e-05 1.79769e+308 2.44406 inf
2287 1.2282e-05 2.89813e-05 1.51699e-05 1.79769e+308 2.44406 inf
2288 1.16412e-05 1.71739e-05 1.51699e-05 1.79769e+308 2.44406 inf
2289 1.20276e-05 1.77361e-05 1.51699e-05 1.79769e+308 2.44406 inf
2290 1.17738e-05 1.92717e-05 1.51699e-05 1.79769e+308 2.44406 inf
2291 1.19839e-05 2.79306e-05 1.51699e-05 1.79769e+308 2.44406 inf
2292 1.21978e-05 0.000139264 1.51699e-05 1.79769e+308 2.44406 inf
2293 1.22669e-05 1.78469e-05 1.51699e-05 1.79769e+308 2.44406 inf
2294 1.21262e-05 0.00160927 1.51699e-05 1.79769e+308 2.44406 inf
2295 1.21014e-05 0.000153352 1.51699e-05 1.79769e+308 2.44406 inf
2296 1.22045e-05 3.04384e-05 1.51699e-05 1.79769e+308 2.44406 inf
2297 1.24836e-05 0.00160226 1.51699e-05 1.79769e+308 2.44406 inf
2298 1.18514e-05 1.98964e-05 1.51699e-05 1.79769e+308 2.44406 inf
2299 1.21734e-05 2.05659e-05 1.51699e-05 1.79769e+308 2.44406 inf
2300 1.22689e-05 1.87353e-05 1.51699e-05 1.79769e+308 2.44406 inf
2301 1.18679e-05 0.000158124 1.51699e-05 1.79769e+308 2.44406 inf
2302 1.21422e-05 0.000139098 1.51699e-05 1.79769e+308 2.44406 inf
2303 1.2133e-05 0.00162301 1.51699e-05 1.79769e+308 2.44406 inf
2304 2.07889e-05 0.000153223 1.51699e-05 1.79769e+308 2.44406 inf
2305 1.3975e-05 3.00992e-05 1.51699e-05 1.79769e+308 2.44406 inf
2306 1.27758e-05 3.00222e-05 1.51699e-05 1.79769e+308 2.44406 inf
2307 1.2543e-05 3.002e-05 1.51699e-05 1.79769e+308 2.44406 inf
2308 1.24685e-05 3.28487e-05 1.51699e-05 1.79769e+308 2.44406 inf
2309 1.2109e-05 0.000140226 1.51699e-05 1.79769e+308 2.44406 inf
2310 1.27379e-05 3.0752e-05 1.51699e-05 1.79769e+308 2.44406 inf
2311 1.24794e-05 0.000151626 1.51699e-05 1.79769e+308 2.44406 inf
2312 1.29367e-05 0.000296052 1.51699e-05 1.79769e+308 2.44406 inf
2313 1.22627e-05 2.95989e-05 1.51699e-05 1.79769e+308 2.44406 inf
2314 1.21129e-05 2.95045e-05 1.51699e-05 1.79769e+308 2.44406 inf
2315 1.27655e-05 0.000152127 1.51699e-05 1.79769e+308 2.44406 inf
2316 1.2686e-05 0.000174439 1.51699e-05 1.79769e+308 2.44406 inf
2317 1.24795e-05 2.97437e-05 1.51699e-05 1.79769e+308 2.44406 inf
2318 1.15563e-05 0.000154471 1.51699e-05 1.79769e+308 2.44406 inf
2319 1.23228e-05 0.000173109 1.51699e-05 1.79769e+308 2.44406 inf
2320 1.26144e-05 1.6392e-05 1.51699e-05 1.79769e+308 2.44406 inf
2321 1.19205e-05 2.91611e-05 1.51699e-05 1.79769e+308 2.44406 inf
2322 1.23911e-05 0.000267906 1.51699e-05 1.79769e+308 2.44406 inf
2323 1.23528e-05 3.71377e-05 1.51699e-05 1.79769e+308 2.44406 inf
2324 1.24033e-05 0.000140984 1.51699e-05 1.79769e+308 2.44406 inf
2325 1.29576e-05 3.20141e-05 1.51699e-05 1.79769e+308 2.44406 inf
2326 1.24055e-05 0.000150758 1.51699e-05 1.79769e+308 2.44406 inf
2327 1.24818e-05 3.16929e-05 1.51699e-05 1.79769e+308 2.44406 inf
2328 1.21621e-05 0.000151162 1.51699e-05 1.79769e+308 2.44406 inf
2329 1.24517e-05 0.000139997 1.51699e-05 1.79769e+308 2.44406 inf
2330 1.29123e-05 3.13775e-05 1.51699e-05 1.79769e+308 2.44406 inf
2331 1.2631e-05 2.90278e-05 1.51699e-05 1.79769e+308 2.44406 inf
2332 1.29599e-05 0.000142071 1.51699e-05 1.79769e+308 2.44406 inf
2333 1.24945e-05 0.000142582 1.51699e-05 1.79769e+308 2.44406 inf
2334 1.22069e-05 0.000150909 1.51699e-05 1.79769e+308 2.44406 inf
2335 1.25615e-05 2.83168e-05 1.51699e-05 1.79769e+308 2.44406 inf
2336 1.24556e-05 0.00161288 1.51699e-05 1.79769e+308 2.44406 inf
2337 1.31126e-05 0.000140848 1.51699e-05 1.79769e+308 2.44406 inf
2338 1.24775e-05 4.22839e-05 1.51699e-05 1.79769e+308 2.44406 inf
2339 1.23576e-05 2.04592e-05 1.51699e-05 1.79769e+308 2.44406 inf
2340 1.25406e-05 0.000156941 1.51699e-05 1.79769e+308 2.44406 inf
2341 1.42979e-05 0.00153129 1.51699e-05 1.79769e+308 2.44406 inf
2342 1.85357e-05 0.000137658 1.51699e-05 1.79769e+308 2.44406 inf
2343 1.25336e-05 1.78576e-05 1.51699e-05 1.79769e+308 2.44406 inf
2344 1.29933e-05 1.76447e-05 1.51699e-05 1.79769e+308 2.44406 inf
2345 1.27156e-05 0.000138115 1.51699e-05 1.79769e+308 2.44406 inf
2346 1.27024e-05 0.00159133 1.51699e-05 1.79769e+308 2.44406 inf
2347 1.29641e-05 1.76456e-05 1.51699e-05 1.79769e+308 2.44406 inf
2348 1.21449e-05 0.000151071 1.51699e-05 1.79769e+308 2.44406 inf
2349 1.24967e-05 0.000152846 1.51699e-05 1.79769e+308 2.44406 inf
2350 1.25848e-05 0.000139175 1.51699e-05 1.79769e+308 2.44406 inf
2351 1.51189e-05 1.82712e-05 1.51699e-05 1.79769e+308 2.44406 inf
2352 1.25611e-05 0.00014157 1.51699e-05 1.79769e+308 2.44406 inf
2353 1.32889e-05 0.000152216 1.51699e-05 1.79769e+308 2.44406 inf
2354 1.27357e-05 3.02473e-05 1.51699e-05 1.79769e+308 2.44406 inf
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2356 1.23973e-05 0.00014081 1.51699e-05 1.79769e+308 2.44406 inf
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2580 1.61247e-05 3.49221e-05 1.51699e-05 1.79769e+308 2.44406 inf
2581 1.63547e-05 2.15692e-05 1.51699e-05 1.79769e+308 2.44406 inf
2582 1.58684e-05 3.36982e-05 1.51699e-05 1.79769e+308 2.44406 inf
2583 1.57808e-05 2.02407e-05 1.51699e-05 1.79769e+308 2.44406 inf
2584 1.56847e-05 2.35505e-05 1.51699e-05 1.79769e+308 2.44406 inf
2585 1.5664e-05 0.00165305 1.51699e-05 1.79769e+308 2.44406 inf
2586 1.63284e-05 0.000145219 1.51699e-05 1.79769e+308 2.44406 inf
2587 1.67896e-05 1.98375e-05 1.51699e-05 1.79769e+308 2.44406 inf
2588 1.75355e-05 0.000157002 1.51699e-05 1.79769e+308 2.44406 inf
2589 1.641e-05 0.000149281 1.51699e-05 1.79769e+308 2.44406 inf
2590 1.6112e-05 1.96457e-05 1.51699e-05 1.79769e+308 2.44406 inf
2591 1.47683e-05 0.000159786 1.51699e-05 1.79769e+308 2.44406 inf
2592 1.66466e-05 1.94085e-05 1.51699e-05 1.79769e+308 2.44406 inf
2593 1.56114e-05 3.14028e-05 1.51699e-05 1.79769e+308 2.44406 inf
2594 1.61154e-05 0.000156925 1.51699e-05 1.79769e+308 2.44406 inf
2595 3.68047e-05 3.52299e-05 1.51699e-05 1.79769e+308 2.44406 inf
torchani/resources/ani-1ccx_8x/train4/inputtrain.ipt 0 → 100644
View file @ b3c7e0e3
!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;
l2norm=1;
l2valu=0.0001;
]
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;
l2norm=1;
l2valu=0.0001;
]
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;
l2norm=1;
l2valu=0.0001;
]
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;
l2norm=1;
l2valu=0.0001;
]
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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