Hello
any one knows how to write a calling program for the following subroutine for this kind of data
1800
1.00E-11 3.74E+07
1.06E-11 3.63E+07
1.13E-11 3.53E+07
1.19E-11 3.43E+07
1.25E-11 3.35E+07
1.38E-11 3.19E+07
1.50E-11 3.06E+07
1.63E-11 2.94E+07
1.75E-11 2.83E+07
1.88E-11 2.73E+07
2.00E-11 2.65E+07
2.15E-11 2.55E+07
2.29E-11 2.47E+07
2.44E-11 2.40E+07
2.58E-11 2.33E+07
2.73E-11 2.27E+07
2.87E-11 2.21E+07
3.16E-11 2.10E+07
3.46E-11 2.01E+07
3.75E-11 1.93E+07
4.04E-11 1.86E+07
4.33E-11 1.80E+07
4.66E-11 1.73E+07
5.00E-11 1.67E+07
5.31E-11 1.62E+07
5.63E-11 1.58E+07
5.94E-11 1.54E+07
6.25E-11 1.50E+07
6.88E-11 1.43E+07
7.50E-11 1.37E+07
8.13E-11 1.31E+07
8.75E-11 1.26E+07
9.38E-11 1.22E+07
1.00E-10 1.18E+07
1.06E-10 1.15E+07
1.13E-10 1.12E+07
1.19E-10 1.09E+07
1.25E-10 1.06E+07
1.38E-10 1.01E+07
1.50E-10 9.66E+06
1.63E-10 9.28E+06
1.75E-10 8.94E+06
1.88E-10 8.64E+06
2.00E-10 8.37E+06
2.19E-10 8.00E+06
2.38E-10 7.68E+06
2.56E-10 7.39E+06
2.75E-10 7.13E+06
2.94E-10 6.90E+06
3.13E-10 6.69E+06
3.31E-10 6.50E+06
3.50E-10 6.32E+06
3.88E-10 6.01E+06
4.25E-10 5.74E+06
4.63E-10 5.50E+06
5.00E-10 5.29E+06
5.31E-10 5.13E+06
5.63E-10 4.99E+06
5.94E-10 4.85E+06
6.25E-10 4.73E+06
6.88E-10 4.51E+06
7.50E-10 4.32E+06
8.13E-10 4.15E+06
8.75E-10 3.99E+06
9.38E-10 3.86E+06
1.00E-09 3.74E+06
1.06E-09 3.62E+06
1.13E-09 3.52E+06
1.19E-09 3.43E+06
1.25E-09 3.34E+06
1.38E-09 3.18E+06
1.50E-09 3.05E+06
1.63E-09 2.93E+06
1.75E-09 2.82E+06
1.88E-09 2.72E+06
2.00E-09 2.63E+06
2.19E-09 2.52E+06
2.38E-09 2.41E+06
2.56E-09 2.32E+06
2.75E-09 2.24E+06
2.94E-09 2.17E+06
3.13E-09 2.10E+06
3.31E-09 2.04E+06
3.50E-09 1.98E+06
3.88E-09 1.88E+06
4.25E-09 1.79E+06
4.63E-09 1.72E+06
5.00E-09 1.65E+06
5.31E-09 1.60E+06
5.63E-09 1.55E+06
5.94E-09 1.51E+06
6.25E-09 1.47E+06
6.88E-09 1.40E+06
7.50E-09 1.34E+06
8.13E-09 1.28E+06
8.75E-09 1.23E+06
9.38E-09 1.19E+06
1.00E-08 1.15E+06
1.06E-08 1.11E+06
1.13E-08 1.08E+06
1.19E-08 1.05E+06
1.25E-08 1.02E+06
1.31E-08 9.97E+05
1.38E-08 9.72E+05
1.50E-08 9.28E+05
1.63E-08 8.89E+05
1.75E-08 8.54E+05
1.88E-08 8.23E+05
2.00E-08 7.95E+05
2.13E-08 7.68E+05
2.27E-08 7.43E+05
2.40E-08 7.20E+05
2.53E-08 6.99E+05
2.67E-08 6.79E+05
2.80E-08 6.61E+05
2.94E-08 6.43E+05
3.07E-08 6.27E+05
3.34E-08 5.98E+05
3.61E-08 5.72E+05
3.88E-08 5.49E+05
4.15E-08 5.28E+05
4.42E-08 5.09E+05
4.69E-08 4.91E+05
5.00E-08 4.73E+05
5.31E-08 4.56E+05
5.63E-08 4.41E+05
5.94E-08 4.26E+05
6.25E-08 4.13E+05
6.56E-08 4.01E+05
6.88E-08 3.89E+05
7.19E-08 3.79E+05
7.50E-08 3.69E+05
8.13E-08 3.51E+05
8.75E-08 3.35E+05
9.38E-08 3.21E+05
1.00E-07 3.08E+05
1.08E-07 2.94E+05
1.16E-07 2.82E+05
1.24E-07 2.71E+05
1.32E-07 2.62E+05
1.39E-07 2.53E+05
1.47E-07 2.46E+05
1.55E-07 2.41E+05
1.63E-07 2.36E+05
1.72E-07 2.31E+05
1.82E-07 2.28E+05
1.91E-07 2.26E+05
2.00E-07 2.26E+05
2.06E-07 2.27E+05
2.12E-07 2.28E+05
2.17E-07 2.29E+05
2.23E-07 2.31E+05
2.35E-07 2.36E+05
2.46E-07 2.43E+05
2.53E-07 2.47E+05
2.60E-07 2.50E+05
2.67E-07 2.53E+05
2.70E-07 2.54E+05
2.74E-07 2.55E+05
2.79E-07 2.55E+05
2.84E-07 2.55E+05
2.89E-07 2.54E+05
2.93E-07 2.52E+05
2.98E-07 2.49E+05
3.02E-07 2.46E+05
3.07E-07 2.43E+05
3.11E-07 2.39E+05
3.20E-07 2.29E+05
3.29E-07 2.19E+05
3.38E-07 2.09E+05
3.47E-07 1.98E+05
3.56E-07 1.88E+05
3.62E-07 1.82E+05
3.68E-07 1.76E+05
3.75E-07 1.70E+05
3.81E-07 1.64E+05
3.87E-07 1.59E+05
3.93E-07 1.54E+05
3.99E-07 1.50E+05
4.05E-07 1.46E+05
4.10E-07 1.43E+05
4.16E-07 1.40E+05
4.21E-07 1.37E+05
4.27E-07 1.34E+05
4.32E-07 1.31E+05
4.38E-07 1.28E+05
4.44E-07 1.26E+05
4.49E-07 1.23E+05
4.55E-07 1.21E+05
4.66E-07 1.17E+05
4.77E-07 1.13E+05
5.00E-07 1.07E+05
5.31E-07 9.96E+04
5.63E-07 9.38E+04
5.94E-07 8.92E+04
6.25E-07 8.53E+04
6.56E-07 8.22E+04
6.88E-07 7.97E+04
7.19E-07 7.77E+04
7.50E-07 7.62E+04
7.81E-07 7.52E+04
8.13E-07 7.47E+04
8.44E-07 7.47E+04
8.75E-07 7.55E+04
9.06E-07 7.71E+04
9.38E-07 7.99E+04
9.53E-07 8.18E+04
9.69E-07 8.43E+04
9.84E-07 8.74E+04
1.00E-06 9.12E+04
1.02E-06 9.70E+04
1.03E-06 1.01E+05
1.04E-06 1.04E+05
1.05E-06 1.10E+05
1.06E-06 1.17E+05
1.07E-06 1.24E+05
1.09E-06 1.31E+05
1.11E-06 1.45E+05
1.12E-06 1.50E+05
1.13E-06 1.51E+05
1.14E-06 1.49E+05
1.16E-06 1.44E+05
1.17E-06 1.34E+05
1.18E-06 1.21E+05
1.19E-06 1.06E+05
1.21E-06 9.29E+04
1.22E-06 8.30E+04
1.23E-06 7.44E+04
1.24E-06 6.71E+04
1.25E-06 6.11E+04
1.26E-06 5.63E+04
1.27E-06 5.25E+04
1.28E-06 4.98E+04
1.29E-06 4.79E+04
1.31E-06 4.63E+04
1.31E-06 4.56E+04
1.32E-06 4.48E+04
1.33E-06 4.31E+04
1.35E-06 4.12E+04
1.36E-06 3.95E+04
1.38E-06 3.81E+04
1.39E-06 3.70E+04
1.40E-06 3.61E+04
1.43E-06 3.46E+04
1.46E-06 3.36E+04
1.49E-06 3.28E+04
1.51E-06 3.22E+04
1.54E-06 3.17E+04
1.58E-06 3.11E+04
1.63E-06 3.06E+04
1.67E-06 3.02E+04
1.71E-06 2.99E+04
1.75E-06 2.97E+04
1.79E-06 2.96E+04
1.81E-06 2.96E+04
1.83E-06 2.97E+04
1.85E-06 2.99E+04
1.86E-06 3.01E+04
1.88E-06 3.03E+04
1.89E-06 3.07E+04
1.90E-06 3.10E+04
1.91E-06 3.14E+04
1.91E-06 3.19E+04
1.92E-06 3.24E+04
1.93E-06 3.32E+04
1.94E-06 3.41E+04
1.94E-06 3.49E+04
1.95E-06 3.59E+04
1.95E-06 3.70E+04
1.96E-06 3.84E+04
1.96E-06 4.02E+04
1.97E-06 4.24E+04
1.97E-06 4.50E+04
1.98E-06 4.83E+04
1.98E-06 5.22E+04
1.99E-06 5.68E+04
1.99E-06 6.22E+04
2.00E-06 6.81E+04
2.02E-06 8.92E+04
2.02E-06 9.35E+04
2.03E-06 9.69E+04
2.03E-06 9.91E+04
2.03E-06 1.00E+05
2.04E-06 9.99E+04
2.04E-06 9.87E+04
2.05E-06 9.68E+04
2.05E-06 9.40E+04
2.06E-06 8.68E+04
2.06E-06 7.82E+04
2.08E-06 6.31E+04
2.08E-06 5.66E+04
2.09E-06 5.10E+04
2.09E-06 4.86E+04
2.09E-06 4.65E+04
2.10E-06 4.45E+04
2.10E-06 4.28E+04
2.10E-06 4.13E+04
2.11E-06 3.99E+04
2.11E-06 3.77E+04
2.12E-06 3.63E+04
2.12E-06 3.52E+04
2.13E-06 3.43E+04
2.13E-06 3.35E+04
2.14E-06 3.22E+04
2.15E-06 3.13E+04
2.16E-06 3.05E+04
2.17E-06 2.98E+04
2.17E-06 2.93E+04
2.18E-06 2.89E+04
2.19E-06 2.85E+04
2.21E-06 2.79E+04
2.23E-06 2.74E+04
2.24E-06 2.70E+04
2.26E-06 2.67E+04
2.28E-06 2.63E+04
2.31E-06 2.60E+04
2.33E-06 2.57E+04
2.36E-06 2.55E+04
2.41E-06 2.50E+04
2.46E-06 2.46E+04
2.52E-06 2.40E+04
2.54E-06 2.38E+04
2.57E-06 2.35E+04
2.60E-06 2.32E+04
2.63E-06 2.30E+04
2.66E-06 2.28E+04
2.68E-06 2.29E+04
2.70E-06 2.30E+04
2.71E-06 2.33E+04
2.72E-06 2.37E+04
2.73E-06 2.43E+04
2.75E-06 2.50E+04
2.76E-06 2.59E+04
2.78E-06 2.79E+04
2.80E-06 2.91E+04
2.82E-06 3.08E+04
2.84E-06 3.23E+04
2.87E-06 3.38E+04
2.89E-06 3.50E+04
2.91E-06 3.59E+04
2.94E-06 3.70E+04
2.96E-06 3.82E+04
2.98E-06 3.98E+04
2.99E-06 4.08E+04
3.00E-06 4.19E+04
3.01E-06 4.32E+04
3.02E-06 4.48E+04
3.03E-06 4.66E+04
3.04E-06 4.88E+04
3.05E-06 5.13E+04
3.06E-06 5.43E+04
3.07E-06 5.86E+04
3.08E-06 6.23E+04
3.09E-06 6.64E+04
3.11E-06 7.49E+04
3.12E-06 7.88E+04
3.13E-06 8.19E+04
3.14E-06 8.38E+04
3.15E-06 8.44E+04
3.16E-06 8.36E+04
3.17E-06 8.23E+04
3.17E-06 8.03E+04
3.19E-06 7.50E+04
3.20E-06 6.85E+04
3.21E-06 6.18E+04
3.23E-06 5.48E+04
3.24E-06 4.90E+04
3.26E-06 4.45E+04
3.27E-06 4.13E+04
3.29E-06 3.91E+04
3.31E-06 3.76E+04
3.32E-06 3.67E+04
3.34E-06 3.62E+04
3.35E-06 3.61E+04
3.36E-06 3.64E+04
3.38E-06 3.70E+04
3.40E-06 3.81E+04
3.42E-06 3.98E+04
3.44E-06 4.20E+04
3.45E-06 4.35E+04
3.46E-06 4.52E+04
3.46E-06 4.72E+04
3.47E-06 4.95E+04
3.48E-06 5.23E+04
3.49E-06 5.57E+04
3.50E-06 5.90E+04
3.51E-06 6.29E+04
3.51E-06 6.74E+04
3.52E-06 7.28E+04
3.53E-06 7.90E+04
3.54E-06 8.62E+04
3.55E-06 9.44E+04
3.55E-06 1.04E+05
3.56E-06 1.14E+05
3.57E-06 1.25E+05
3.58E-06 1.47E+05
3.59E-06 1.56E+05
3.60E-06 1.63E+05
3.61E-06 1.67E+05
3.62E-06 1.67E+05
3.62E-06 1.65E+05
3.63E-06 1.59E+05
3.64E-06 1.48E+05
3.65E-06 1.35E+05
3.66E-06 1.21E+05
3.67E-06 1.03E+05
3.68E-06 8.61E+04
3.68E-06 7.86E+04
3.69E-06 7.16E+04
3.69E-06 6.53E+04
3.70E-06 5.97E+04
3.70E-06 5.50E+04
3.71E-06 5.08E+04
3.71E-06 4.70E+04
3.72E-06 4.38E+04
3.72E-06 4.09E+04
3.73E-06 3.84E+04
3.73E-06 3.62E+04
3.74E-06 3.43E+04
3.74E-06 3.26E+04
3.75E-06 3.11E+04
3.75E-06 2.98E+04
3.76E-06 2.86E+04
3.77E-06 2.66E+04
3.78E-06 2.51E+04
3.79E-06 2.40E+04
3.80E-06 2.30E+04
3.81E-06 2.22E+04
3.82E-06 2.15E+04
3.83E-06 2.03E+04
3.85E-06 1.94E+04
3.87E-06 1.87E+04
3.89E-06 1.81E+04
3.91E-06 1.76E+04
3.93E-06 1.72E+04
3.94E-06 1.70E+04
3.96E-06 1.68E+04
3.98E-06 1.67E+04
4.00E-06 1.67E+04
4.04E-06 1.66E+04
4.08E-06 1.67E+04
4.12E-06 1.67E+04
4.15E-06 1.67E+04
4.19E-06 1.68E+04
4.23E-06 1.68E+04
4.28E-06 1.69E+04
4.32E-06 1.70E+04
4.37E-06 1.72E+04
4.41E-06 1.73E+04
4.46E-06 1.76E+04
4.48E-06 1.77E+04
4.51E-06 1.79E+04
4.53E-06 1.81E+04
4.55E-06 1.84E+04
4.57E-06 1.87E+04
4.60E-06 1.92E+04
4.61E-06 1.96E+04
4.63E-06 2.01E+04
4.65E-06 2.08E+04
4.66E-06 2.16E+04
4.67E-06 2.21E+04
4.68E-06 2.27E+04
4.69E-06 2.34E+04
4.69E-06 2.42E+04
4.70E-06 2.53E+04
4.71E-06 2.65E+04
4.72E-06 2.80E+04
4.73E-06 3.00E+04
4.73E-06 3.24E+04
4.74E-06 3.38E+04
4.74E-06 3.55E+04
4.75E-06 3.74E+04
4.75E-06 3.95E+04
4.75E-06 4.20E+04
4.76E-06 4.48E+04
4.76E-06 4.81E+04
4.76E-06 5.17E+04
4.77E-06 5.59E+04
4.77E-06 6.07E+04
4.78E-06 6.60E+04
4.78E-06 7.20E+04
4.78E-06 7.86E+04
4.79E-06 8.58E+04
4.79E-06 9.56E+04
4.80E-06 1.06E+05
4.81E-06 1.30E+05
4.82E-06 1.78E+05
4.83E-06 1.92E+05
4.84E-06 2.02E+05
4.84E-06 2.09E+05
4.85E-06 2.12E+05
4.85E-06 2.11E+05
4.86E-06 2.08E+05
4.86E-06 2.02E+05
4.87E-06 1.94E+05
4.88E-06 1.76E+05
4.89E-06 1.54E+05
4.90E-06 1.09E+05
4.91E-06 9.56E+04
4.92E-06 8.34E+04
4.92E-06 7.28E+04
4.93E-06 6.38E+04
4.93E-06 5.63E+04
4.94E-06 5.01E+04
4.95E-06 4.50E+04
4.95E-06 4.09E+04
4.96E-06 3.76E+04
4.96E-06 3.49E+04
4.97E-06 3.27E+04
4.98E-06 3.10E+04
4.98E-06 2.95E+04
4.99E-06 2.83E+04
4.99E-06 2.73E+04
5.00E-06 2.65E+04
5.01E-06 2.53E+04
5.02E-06 2.45E+04
5.03E-06 2.38E+04
5.04E-06 2.32E+04
5.05E-06 2.28E+04
5.06E-06 2.24E+04
5.07E-06 2.22E+04
5.08E-06 2.19E+04
5.10E-06 2.16E+04
5.12E-06 2.15E+04
5.14E-06 2.15E+04
5.16E-06 2.16E+04
5.19E-06 2.19E+04
5.21E-06 2.23E+04
5.24E-06 2.28E+04
5.27E-06 2.35E+04
5.30E-06 2.46E+04
5.34E-06 2.58E+04
5.41E-06 2.85E+04
5.44E-06 2.96E+04
5.48E-06 3.05E+04
5.51E-06 3.11E+04
5.55E-06 3.14E+04
5.61E-06 3.12E+04
5.66E-06 3.06E+04
5.72E-06 3.02E+04
5.75E-06 3.01E+04
5.78E-06 3.01E+04
5.82E-06 3.03E+04
5.85E-06 3.09E+04
5.89E-06 3.18E+04
5.92E-06 3.32E+04
5.94E-06 3.42E+04
5.96E-06 3.54E+04
5.98E-06 3.69E+04
5.99E-06 3.86E+04
6.01E-06 4.08E+04
6.03E-06 4.34E+04
6.05E-06 4.65E+04
6.06E-06 5.02E+04
6.08E-06 5.45E+04
6.10E-06 5.94E+04
6.12E-06 6.48E+04
6.14E-06 7.03E+04
6.15E-06 7.58E+04
6.17E-06 8.09E+04
6.19E-06 8.56E+04
6.21E-06 9.02E+04
6.22E-06 9.44E+04
6.23E-06 9.69E+04
6.24E-06 9.99E+04
6.24E-06 1.04E+05
6.25E-06 1.08E+05
6.26E-06 1.14E+05
6.26E-06 1.21E+05
6.27E-06 1.31E+05
6.28E-06 1.44E+05
6.29E-06 1.60E+05
6.29E-06 1.81E+05
6.30E-06 2.06E+05
6.31E-06 2.36E+05
6.32E-06 2.71E+05
6.33E-06 3.11E+05
6.34E-06 3.72E+05
6.35E-06 4.36E+05
6.36E-06 4.95E+05
6.37E-06 5.46E+05
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2.60E-05 3.10E+04
2.60E-05 2.96E+04
2.61E-05 2.86E+04
2.61E-05 2.77E+04
2.61E-05 2.72E+04
2.61E-05 2.68E+04
2.61E-05 2.66E+04
2.61E-05 2.66E+04
2.61E-05 2.68E+04
2.61E-05 2.72E+04
2.62E-05 2.78E+04
2.62E-05 2.87E+04
2.62E-05 2.98E+04
2.62E-05 3.12E+04
2.62E-05 3.29E+04
2.62E-05 3.49E+04
2.62E-05 3.81E+04
2.63E-05 4.20E+04
2.63E-05 4.66E+04
2.63E-05 5.19E+04
2.63E-05 5.79E+04
2.63E-05 6.44E+04
2.64E-05 7.88E+04
2.64E-05 9.04E+04
2.64E-05 1.00E+05
2.64E-05 1.04E+05
2.65E-05 1.07E+05
2.65E-05 1.09E+05
2.65E-05 1.10E+05
2.65E-05 1.10E+05
2.65E-05 1.09E+05
2.65E-05 1.04E+05
2.66E-05 9.65E+04
2.66E-05 8.79E+04
2.66E-05 7.85E+04
2.67E-05 6.98E+04
2.67E-05 6.23E+04
2.67E-05 5.91E+04
2.67E-05 5.61E+04
2.67E-05 5.34E+04
2.67E-05 5.10E+04
2.68E-05 4.69E+04
2.68E-05 4.35E+04
2.68E-05 4.07E+04
2.69E-05 3.92E+04
2.69E-05 3.79E+04
2.69E-05 3.68E+04
2.69E-05 3.59E+04
2.69E-05 3.52E+04
2.69E-05 3.48E+04
2.70E-05 3.45E+04
any one knows how to write a calling program for the following subroutine for this kind of data
1800
1.00E-11 3.74E+07
1.06E-11 3.63E+07
1.13E-11 3.53E+07
1.19E-11 3.43E+07
1.25E-11 3.35E+07
1.38E-11 3.19E+07
1.50E-11 3.06E+07
1.63E-11 2.94E+07
1.75E-11 2.83E+07
1.88E-11 2.73E+07
2.00E-11 2.65E+07
2.15E-11 2.55E+07
2.29E-11 2.47E+07
2.44E-11 2.40E+07
2.58E-11 2.33E+07
2.73E-11 2.27E+07
2.87E-11 2.21E+07
3.16E-11 2.10E+07
3.46E-11 2.01E+07
3.75E-11 1.93E+07
4.04E-11 1.86E+07
4.33E-11 1.80E+07
4.66E-11 1.73E+07
5.00E-11 1.67E+07
5.31E-11 1.62E+07
5.63E-11 1.58E+07
5.94E-11 1.54E+07
6.25E-11 1.50E+07
6.88E-11 1.43E+07
7.50E-11 1.37E+07
8.13E-11 1.31E+07
8.75E-11 1.26E+07
9.38E-11 1.22E+07
1.00E-10 1.18E+07
1.06E-10 1.15E+07
1.13E-10 1.12E+07
1.19E-10 1.09E+07
1.25E-10 1.06E+07
1.38E-10 1.01E+07
1.50E-10 9.66E+06
1.63E-10 9.28E+06
1.75E-10 8.94E+06
1.88E-10 8.64E+06
2.00E-10 8.37E+06
2.19E-10 8.00E+06
2.38E-10 7.68E+06
2.56E-10 7.39E+06
2.75E-10 7.13E+06
2.94E-10 6.90E+06
3.13E-10 6.69E+06
3.31E-10 6.50E+06
3.50E-10 6.32E+06
3.88E-10 6.01E+06
4.25E-10 5.74E+06
4.63E-10 5.50E+06
5.00E-10 5.29E+06
5.31E-10 5.13E+06
5.63E-10 4.99E+06
5.94E-10 4.85E+06
6.25E-10 4.73E+06
6.88E-10 4.51E+06
7.50E-10 4.32E+06
8.13E-10 4.15E+06
8.75E-10 3.99E+06
9.38E-10 3.86E+06
1.00E-09 3.74E+06
1.06E-09 3.62E+06
1.13E-09 3.52E+06
1.19E-09 3.43E+06
1.25E-09 3.34E+06
1.38E-09 3.18E+06
1.50E-09 3.05E+06
1.63E-09 2.93E+06
1.75E-09 2.82E+06
1.88E-09 2.72E+06
2.00E-09 2.63E+06
2.19E-09 2.52E+06
2.38E-09 2.41E+06
2.56E-09 2.32E+06
2.75E-09 2.24E+06
2.94E-09 2.17E+06
3.13E-09 2.10E+06
3.31E-09 2.04E+06
3.50E-09 1.98E+06
3.88E-09 1.88E+06
4.25E-09 1.79E+06
4.63E-09 1.72E+06
5.00E-09 1.65E+06
5.31E-09 1.60E+06
5.63E-09 1.55E+06
5.94E-09 1.51E+06
6.25E-09 1.47E+06
6.88E-09 1.40E+06
7.50E-09 1.34E+06
8.13E-09 1.28E+06
8.75E-09 1.23E+06
9.38E-09 1.19E+06
1.00E-08 1.15E+06
1.06E-08 1.11E+06
1.13E-08 1.08E+06
1.19E-08 1.05E+06
1.25E-08 1.02E+06
1.31E-08 9.97E+05
1.38E-08 9.72E+05
1.50E-08 9.28E+05
1.63E-08 8.89E+05
1.75E-08 8.54E+05
1.88E-08 8.23E+05
2.00E-08 7.95E+05
2.13E-08 7.68E+05
2.27E-08 7.43E+05
2.40E-08 7.20E+05
2.53E-08 6.99E+05
2.67E-08 6.79E+05
2.80E-08 6.61E+05
2.94E-08 6.43E+05
3.07E-08 6.27E+05
3.34E-08 5.98E+05
3.61E-08 5.72E+05
3.88E-08 5.49E+05
4.15E-08 5.28E+05
4.42E-08 5.09E+05
4.69E-08 4.91E+05
5.00E-08 4.73E+05
5.31E-08 4.56E+05
5.63E-08 4.41E+05
5.94E-08 4.26E+05
6.25E-08 4.13E+05
6.56E-08 4.01E+05
6.88E-08 3.89E+05
7.19E-08 3.79E+05
7.50E-08 3.69E+05
8.13E-08 3.51E+05
8.75E-08 3.35E+05
9.38E-08 3.21E+05
1.00E-07 3.08E+05
1.08E-07 2.94E+05
1.16E-07 2.82E+05
1.24E-07 2.71E+05
1.32E-07 2.62E+05
1.39E-07 2.53E+05
1.47E-07 2.46E+05
1.55E-07 2.41E+05
1.63E-07 2.36E+05
1.72E-07 2.31E+05
1.82E-07 2.28E+05
1.91E-07 2.26E+05
2.00E-07 2.26E+05
2.06E-07 2.27E+05
2.12E-07 2.28E+05
2.17E-07 2.29E+05
2.23E-07 2.31E+05
2.35E-07 2.36E+05
2.46E-07 2.43E+05
2.53E-07 2.47E+05
2.60E-07 2.50E+05
2.67E-07 2.53E+05
2.70E-07 2.54E+05
2.74E-07 2.55E+05
2.79E-07 2.55E+05
2.84E-07 2.55E+05
2.89E-07 2.54E+05
2.93E-07 2.52E+05
2.98E-07 2.49E+05
3.02E-07 2.46E+05
3.07E-07 2.43E+05
3.11E-07 2.39E+05
3.20E-07 2.29E+05
3.29E-07 2.19E+05
3.38E-07 2.09E+05
3.47E-07 1.98E+05
3.56E-07 1.88E+05
3.62E-07 1.82E+05
3.68E-07 1.76E+05
3.75E-07 1.70E+05
3.81E-07 1.64E+05
3.87E-07 1.59E+05
3.93E-07 1.54E+05
3.99E-07 1.50E+05
4.05E-07 1.46E+05
4.10E-07 1.43E+05
4.16E-07 1.40E+05
4.21E-07 1.37E+05
4.27E-07 1.34E+05
4.32E-07 1.31E+05
4.38E-07 1.28E+05
4.44E-07 1.26E+05
4.49E-07 1.23E+05
4.55E-07 1.21E+05
4.66E-07 1.17E+05
4.77E-07 1.13E+05
5.00E-07 1.07E+05
5.31E-07 9.96E+04
5.63E-07 9.38E+04
5.94E-07 8.92E+04
6.25E-07 8.53E+04
6.56E-07 8.22E+04
6.88E-07 7.97E+04
7.19E-07 7.77E+04
7.50E-07 7.62E+04
7.81E-07 7.52E+04
8.13E-07 7.47E+04
8.44E-07 7.47E+04
8.75E-07 7.55E+04
9.06E-07 7.71E+04
9.38E-07 7.99E+04
9.53E-07 8.18E+04
9.69E-07 8.43E+04
9.84E-07 8.74E+04
1.00E-06 9.12E+04
1.02E-06 9.70E+04
1.03E-06 1.01E+05
1.04E-06 1.04E+05
1.05E-06 1.10E+05
1.06E-06 1.17E+05
1.07E-06 1.24E+05
1.09E-06 1.31E+05
1.11E-06 1.45E+05
1.12E-06 1.50E+05
1.13E-06 1.51E+05
1.14E-06 1.49E+05
1.16E-06 1.44E+05
1.17E-06 1.34E+05
1.18E-06 1.21E+05
1.19E-06 1.06E+05
1.21E-06 9.29E+04
1.22E-06 8.30E+04
1.23E-06 7.44E+04
1.24E-06 6.71E+04
1.25E-06 6.11E+04
1.26E-06 5.63E+04
1.27E-06 5.25E+04
1.28E-06 4.98E+04
1.29E-06 4.79E+04
1.31E-06 4.63E+04
1.31E-06 4.56E+04
1.32E-06 4.48E+04
1.33E-06 4.31E+04
1.35E-06 4.12E+04
1.36E-06 3.95E+04
1.38E-06 3.81E+04
1.39E-06 3.70E+04
1.40E-06 3.61E+04
1.43E-06 3.46E+04
1.46E-06 3.36E+04
1.49E-06 3.28E+04
1.51E-06 3.22E+04
1.54E-06 3.17E+04
1.58E-06 3.11E+04
1.63E-06 3.06E+04
1.67E-06 3.02E+04
1.71E-06 2.99E+04
1.75E-06 2.97E+04
1.79E-06 2.96E+04
1.81E-06 2.96E+04
1.83E-06 2.97E+04
1.85E-06 2.99E+04
1.86E-06 3.01E+04
1.88E-06 3.03E+04
1.89E-06 3.07E+04
1.90E-06 3.10E+04
1.91E-06 3.14E+04
1.91E-06 3.19E+04
1.92E-06 3.24E+04
1.93E-06 3.32E+04
1.94E-06 3.41E+04
1.94E-06 3.49E+04
1.95E-06 3.59E+04
1.95E-06 3.70E+04
1.96E-06 3.84E+04
1.96E-06 4.02E+04
1.97E-06 4.24E+04
1.97E-06 4.50E+04
1.98E-06 4.83E+04
1.98E-06 5.22E+04
1.99E-06 5.68E+04
1.99E-06 6.22E+04
2.00E-06 6.81E+04
2.02E-06 8.92E+04
2.02E-06 9.35E+04
2.03E-06 9.69E+04
2.03E-06 9.91E+04
2.03E-06 1.00E+05
2.04E-06 9.99E+04
2.04E-06 9.87E+04
2.05E-06 9.68E+04
2.05E-06 9.40E+04
2.06E-06 8.68E+04
2.06E-06 7.82E+04
2.08E-06 6.31E+04
2.08E-06 5.66E+04
2.09E-06 5.10E+04
2.09E-06 4.86E+04
2.09E-06 4.65E+04
2.10E-06 4.45E+04
2.10E-06 4.28E+04
2.10E-06 4.13E+04
2.11E-06 3.99E+04
2.11E-06 3.77E+04
2.12E-06 3.63E+04
2.12E-06 3.52E+04
2.13E-06 3.43E+04
2.13E-06 3.35E+04
2.14E-06 3.22E+04
2.15E-06 3.13E+04
2.16E-06 3.05E+04
2.17E-06 2.98E+04
2.17E-06 2.93E+04
2.18E-06 2.89E+04
2.19E-06 2.85E+04
2.21E-06 2.79E+04
2.23E-06 2.74E+04
2.24E-06 2.70E+04
2.26E-06 2.67E+04
2.28E-06 2.63E+04
2.31E-06 2.60E+04
2.33E-06 2.57E+04
2.36E-06 2.55E+04
2.41E-06 2.50E+04
2.46E-06 2.46E+04
2.52E-06 2.40E+04
2.54E-06 2.38E+04
2.57E-06 2.35E+04
2.60E-06 2.32E+04
2.63E-06 2.30E+04
2.66E-06 2.28E+04
2.68E-06 2.29E+04
2.70E-06 2.30E+04
2.71E-06 2.33E+04
2.72E-06 2.37E+04
2.73E-06 2.43E+04
2.75E-06 2.50E+04
2.76E-06 2.59E+04
2.78E-06 2.79E+04
2.80E-06 2.91E+04
2.82E-06 3.08E+04
2.84E-06 3.23E+04
2.87E-06 3.38E+04
2.89E-06 3.50E+04
2.91E-06 3.59E+04
2.94E-06 3.70E+04
2.96E-06 3.82E+04
2.98E-06 3.98E+04
2.99E-06 4.08E+04
3.00E-06 4.19E+04
3.01E-06 4.32E+04
3.02E-06 4.48E+04
3.03E-06 4.66E+04
3.04E-06 4.88E+04
3.05E-06 5.13E+04
3.06E-06 5.43E+04
3.07E-06 5.86E+04
3.08E-06 6.23E+04
3.09E-06 6.64E+04
3.11E-06 7.49E+04
3.12E-06 7.88E+04
3.13E-06 8.19E+04
3.14E-06 8.38E+04
3.15E-06 8.44E+04
3.16E-06 8.36E+04
3.17E-06 8.23E+04
3.17E-06 8.03E+04
3.19E-06 7.50E+04
3.20E-06 6.85E+04
3.21E-06 6.18E+04
3.23E-06 5.48E+04
3.24E-06 4.90E+04
3.26E-06 4.45E+04
3.27E-06 4.13E+04
3.29E-06 3.91E+04
3.31E-06 3.76E+04
3.32E-06 3.67E+04
3.34E-06 3.62E+04
3.35E-06 3.61E+04
3.36E-06 3.64E+04
3.38E-06 3.70E+04
3.40E-06 3.81E+04
3.42E-06 3.98E+04
3.44E-06 4.20E+04
3.45E-06 4.35E+04
3.46E-06 4.52E+04
3.46E-06 4.72E+04
3.47E-06 4.95E+04
3.48E-06 5.23E+04
3.49E-06 5.57E+04
3.50E-06 5.90E+04
3.51E-06 6.29E+04
3.51E-06 6.74E+04
3.52E-06 7.28E+04
3.53E-06 7.90E+04
3.54E-06 8.62E+04
3.55E-06 9.44E+04
3.55E-06 1.04E+05
3.56E-06 1.14E+05
3.57E-06 1.25E+05
3.58E-06 1.47E+05
3.59E-06 1.56E+05
3.60E-06 1.63E+05
3.61E-06 1.67E+05
3.62E-06 1.67E+05
3.62E-06 1.65E+05
3.63E-06 1.59E+05
3.64E-06 1.48E+05
3.65E-06 1.35E+05
3.66E-06 1.21E+05
3.67E-06 1.03E+05
3.68E-06 8.61E+04
3.68E-06 7.86E+04
3.69E-06 7.16E+04
3.69E-06 6.53E+04
3.70E-06 5.97E+04
3.70E-06 5.50E+04
3.71E-06 5.08E+04
3.71E-06 4.70E+04
3.72E-06 4.38E+04
3.72E-06 4.09E+04
3.73E-06 3.84E+04
3.73E-06 3.62E+04
3.74E-06 3.43E+04
3.74E-06 3.26E+04
3.75E-06 3.11E+04
3.75E-06 2.98E+04
3.76E-06 2.86E+04
3.77E-06 2.66E+04
3.78E-06 2.51E+04
3.79E-06 2.40E+04
3.80E-06 2.30E+04
3.81E-06 2.22E+04
3.82E-06 2.15E+04
3.83E-06 2.03E+04
3.85E-06 1.94E+04
3.87E-06 1.87E+04
3.89E-06 1.81E+04
3.91E-06 1.76E+04
3.93E-06 1.72E+04
3.94E-06 1.70E+04
3.96E-06 1.68E+04
3.98E-06 1.67E+04
4.00E-06 1.67E+04
4.04E-06 1.66E+04
4.08E-06 1.67E+04
4.12E-06 1.67E+04
4.15E-06 1.67E+04
4.19E-06 1.68E+04
4.23E-06 1.68E+04
4.28E-06 1.69E+04
4.32E-06 1.70E+04
4.37E-06 1.72E+04
4.41E-06 1.73E+04
4.46E-06 1.76E+04
4.48E-06 1.77E+04
4.51E-06 1.79E+04
4.53E-06 1.81E+04
4.55E-06 1.84E+04
4.57E-06 1.87E+04
4.60E-06 1.92E+04
4.61E-06 1.96E+04
4.63E-06 2.01E+04
4.65E-06 2.08E+04
4.66E-06 2.16E+04
4.67E-06 2.21E+04
4.68E-06 2.27E+04
4.69E-06 2.34E+04
4.69E-06 2.42E+04
4.70E-06 2.53E+04
4.71E-06 2.65E+04
4.72E-06 2.80E+04
4.73E-06 3.00E+04
4.73E-06 3.24E+04
4.74E-06 3.38E+04
4.74E-06 3.55E+04
4.75E-06 3.74E+04
4.75E-06 3.95E+04
4.75E-06 4.20E+04
4.76E-06 4.48E+04
4.76E-06 4.81E+04
4.76E-06 5.17E+04
4.77E-06 5.59E+04
4.77E-06 6.07E+04
4.78E-06 6.60E+04
4.78E-06 7.20E+04
4.78E-06 7.86E+04
4.79E-06 8.58E+04
4.79E-06 9.56E+04
4.80E-06 1.06E+05
4.81E-06 1.30E+05
4.82E-06 1.78E+05
4.83E-06 1.92E+05
4.84E-06 2.02E+05
4.84E-06 2.09E+05
4.85E-06 2.12E+05
4.85E-06 2.11E+05
4.86E-06 2.08E+05
4.86E-06 2.02E+05
4.87E-06 1.94E+05
4.88E-06 1.76E+05
4.89E-06 1.54E+05
4.90E-06 1.09E+05
4.91E-06 9.56E+04
4.92E-06 8.34E+04
4.92E-06 7.28E+04
4.93E-06 6.38E+04
4.93E-06 5.63E+04
4.94E-06 5.01E+04
4.95E-06 4.50E+04
4.95E-06 4.09E+04
4.96E-06 3.76E+04
4.96E-06 3.49E+04
4.97E-06 3.27E+04
4.98E-06 3.10E+04
4.98E-06 2.95E+04
4.99E-06 2.83E+04
4.99E-06 2.73E+04
5.00E-06 2.65E+04
5.01E-06 2.53E+04
5.02E-06 2.45E+04
5.03E-06 2.38E+04
5.04E-06 2.32E+04
5.05E-06 2.28E+04
5.06E-06 2.24E+04
5.07E-06 2.22E+04
5.08E-06 2.19E+04
5.10E-06 2.16E+04
5.12E-06 2.15E+04
5.14E-06 2.15E+04
5.16E-06 2.16E+04
5.19E-06 2.19E+04
5.21E-06 2.23E+04
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2.43E-05 1.38E+05
2.44E-05 1.17E+05
2.44E-05 1.08E+05
2.44E-05 9.90E+04
2.44E-05 9.12E+04
2.44E-05 8.43E+04
2.44E-05 7.85E+04
2.44E-05 7.36E+04
2.45E-05 7.13E+04
2.45E-05 6.92E+04
2.45E-05 6.56E+04
2.45E-05 6.27E+04
2.45E-05 6.03E+04
2.45E-05 5.83E+04
2.45E-05 5.67E+04
2.45E-05 5.54E+04
2.46E-05 5.42E+04
2.46E-05 5.33E+04
2.46E-05 5.25E+04
2.46E-05 5.12E+04
2.47E-05 5.03E+04
2.47E-05 4.97E+04
2.47E-05 4.93E+04
2.48E-05 4.92E+04
2.48E-05 4.95E+04
2.48E-05 5.00E+04
2.49E-05 5.09E+04
2.49E-05 5.21E+04
2.50E-05 5.53E+04
2.51E-05 5.99E+04
2.51E-05 6.24E+04
2.52E-05 6.54E+04
2.52E-05 6.91E+04
2.53E-05 7.35E+04
2.53E-05 8.14E+04
2.54E-05 8.96E+04
2.55E-05 9.63E+04
2.55E-05 1.00E+05
2.56E-05 1.01E+05
2.56E-05 1.01E+05
2.56E-05 1.01E+05
2.56E-05 9.86E+04
2.57E-05 9.54E+04
2.57E-05 9.11E+04
2.57E-05 8.57E+04
2.58E-05 7.94E+04
2.58E-05 6.54E+04
2.59E-05 5.21E+04
2.59E-05 4.61E+04
2.59E-05 4.08E+04
2.60E-05 3.62E+04
2.60E-05 3.42E+04
2.60E-05 3.25E+04
2.60E-05 3.10E+04
2.60E-05 2.96E+04
2.61E-05 2.86E+04
2.61E-05 2.77E+04
2.61E-05 2.72E+04
2.61E-05 2.68E+04
2.61E-05 2.66E+04
2.61E-05 2.66E+04
2.61E-05 2.68E+04
2.61E-05 2.72E+04
2.62E-05 2.78E+04
2.62E-05 2.87E+04
2.62E-05 2.98E+04
2.62E-05 3.12E+04
2.62E-05 3.29E+04
2.62E-05 3.49E+04
2.62E-05 3.81E+04
2.63E-05 4.20E+04
2.63E-05 4.66E+04
2.63E-05 5.19E+04
2.63E-05 5.79E+04
2.63E-05 6.44E+04
2.64E-05 7.88E+04
2.64E-05 9.04E+04
2.64E-05 1.00E+05
2.64E-05 1.04E+05
2.65E-05 1.07E+05
2.65E-05 1.09E+05
2.65E-05 1.10E+05
2.65E-05 1.10E+05
2.65E-05 1.09E+05
2.65E-05 1.04E+05
2.66E-05 9.65E+04
2.66E-05 8.79E+04
2.66E-05 7.85E+04
2.67E-05 6.98E+04
2.67E-05 6.23E+04
2.67E-05 5.91E+04
2.67E-05 5.61E+04
2.67E-05 5.34E+04
2.67E-05 5.10E+04
2.68E-05 4.69E+04
2.68E-05 4.35E+04
2.68E-05 4.07E+04
2.69E-05 3.92E+04
2.69E-05 3.79E+04
2.69E-05 3.68E+04
2.69E-05 3.59E+04
2.69E-05 3.52E+04
2.69E-05 3.48E+04
2.70E-05 3.45E+04
Code:
subroutine nonlinearInt(coefit,ndata,chisq)
parameter (maxlink=8)
dimension coefit(4+maxlink),lista(4+maxlink)
common /maxiter/maxiter
common /mreftol/rmreftol
common /ihklnbr/k,ihkl(3,maxlink+1)
logical*1 bad
common /bad/bad
do 11 j=1, 4+maxlink
lista(j)=0
11 continue
lista(1)=1
lista(4)=1
do 10 j=2,k
lista(j+3)=1
10 continue
if (coefit(1).gt.0) then
coefit(1)=sqrt(coefit(1))
else
coefit(1)=1.
endif
if (coefit(4).le.0) coefit(4)=1.
do 12 j=2,k
coefit(j+3)=coefit(1)
12 continue
do 16 j=k+4,maxlink+4
coefit(j)=0.
16 continue
coefit1Rem=coefit(1)
coefit4Rem=coefit(4)
chi2last=1.e30
iter=0
1120 alamda=-1.
iter=iter+1
if (bad) goto 13
call mrqmin92int(ndata,coefit,lista,12,12,chisq,alamda)
if (bad) goto 13
120 chisqlast=chisq
140 alamdalast=alamda
if (iter.ge.maxiter) goto 130
iter=iter+1
call mrqmin92int(ndata,coefit,lista,12,12,chisq,alamda)
if (bad) goto 13
if (alamda.ge.alamdalast) goto 140
if (2.*abs(chisq-chisqlast).gt.rmreftol*(abs(chisq)+abs(chisqlast))) goto 120
130 continue
alamda=0.0
call mrqmin92int(ndata,coefit,lista,12,12,chisq,alamda)
if (bad) goto 13
if (iter.ge.maxiter) then
write(6,*)'nonlinearInt: maximum iteration reached'
bad=.TRUE.
endif
goto 14
13 coefit(1)=coefit1Rem
coefit(4)=coefit4Rem
14 coefit(1)=coefit(1)*coefit(1)
do 15 j=2,k
coefit(j+3)=coefit(j+3)*coefit(j+3)
15 continue
return
end
subroutine mrqmin92int(ndata,a,ia,ma,nca,chisq,alamda)
! set to largest number of fit parameters.
parameter (mmax=12)
integer ma,nca,ndata,ia(ma)
real alamda,chisq,funcs,a(ma),alpha(mmax,mmax),covar(mmax,mmax),covarrem(mmax,mmax)
! Levenberg-Marquardt method, attempting to reduce the value che-square of a
! fit between a set of data points x(1:ndata), y(1:ndata) with individual
! standard deviations sig(1:ndata), and a nonlinear function dependent on ma
! coefficients a(1:ma). The input array ia(1:ma) indicated by nonzero entries
! those components of a that should be fitted for, and by zero entries those
! components that should be held fixed at their input values. The program
! returns current best-fit values for the parameters a(1:ma), and chi-square
! = chisq. The arrays covar(1:nca,1:nca), alpha(1:nca,1:nca) with physical
! dimension nca (> or =the number of fitted parameters) are used as working
! space during most iterations. Supply a subroutine funcs(x,a,yfit,dyda,ma)
! that evaluates the fitting functions yfit, and its derivatives dyda with
! respect to the fitting parameters a at x. On the first call provide an
! initial guess for the parameters a, and set alamda < 0 for initialization
! (which then sets alamda = 0.001). If a step succeeds chisq becomes smaller
! and alamda decreases by a factor of 10. If a step fails alamda grows by a
! factor of 10. You must call this routine repeatedly until convergence is
! achieved. Then, make one final call with alamda = 0, so that covar(1:ma,
! 1:ma) returns the covarience matrix, and alpha the curvature matrix.
! (Parameters held fixed will return zero covariences.)
integer j,k,l,m,mfit
real ochisq,atry(mmax),beta(mmax),da(mmax),darem(mmax)
save ochisq,atry,beta,da,mfit
logical*1 bad
common /bad/bad
common /lmspeed/speed
! initialization
if (alamda.lt.0.) then
mfit=0
do 11 j=1,ma
if (ia(j).ne.0) mfit=mfit+1
11 continue
alamda=0.001
call mrqcof92int(ndata,a,ia,ma,alpha,beta,nca,chisq)
if (bad) return
ochisq=chisq
do 12 j=1,ma
atry(j)=a(j)
12 continue
endif
j=0
! alter linearized fitting matrix, by augmenting diagnal elements.
do 14 l=1,ma
if (ia(l).ne.0) then
j=j+1
k=0
do 13 m=1,ma
if (ia(m).ne.0) then
k=k+1
covar(j,k)=alpha(j,k)
endif
13 continue
covar(j,j)=alpha(j,j)*(1.+alamda)
da(j)=beta(j)
endif
14 continue
! matrix solution
do 101 i=1,ma
darem(i)=da(i)
do 101 j=1,ma
covarrem(i,j)=covar(i,j)
101 continue
call gaussjpf(covar,mfit,nca,da,1,1)
if (bad) then
bad = .FALSE.
do 102 i=1,ma
da(i)=darem(i)
do 102 j=1,ma
covar(i,j)=covarrem(i,j)
102 continue
call usesvdpf(covar,ma,ma,mmax,mmax,da)
endif
if (bad) return
! once converged, evaluate covariance matrix.
if (alamda.eq.0.) then
call covsrt92(covar,nca,ma,ia,mfit)
return
endif
j=0
! did the trial succeed?
do 15 l=1,ma
if (ia(l).ne.0) then
j=j+1
atry(l)=a(l)+da(j)
endif
15 continue
call mrqcof92int(ndata,atry,ia,ma,covar,da,nca,chisq)
if (bad) return
! success, accept the new solution.
if (chisq.lt.ochisq) then
if (alamda.gt.1.e-35) alamda=alamda/speed
ochisq=chisq
j=0
do 17 l=1,ma
if (ia(l).ne.0) then
j=j+1
k=0
do 16 m=1,ma
if (ia(m).ne.0) then
k=k+1
alpha(j,k)=covar(j,k)
endif
16 continue
beta(j)=da(j)
a(l)=atry(l)
endif
17 continue
! failure, increase alamda and return.
else
if (alamda.lt.1.e35) alamda=alamda*speed
chisq=ochisq
endif
return
end
subroutine mrqcof92int(ndata,a,ia,ma,alpha,beta,nalp,chisq)
integer ma,nalp,ndata,ia(ma),mmax
real chisq,a(ma),alpha(nalp,nalp),beta(ma)
parameter (mmax=12)
logical*1 bad
common /bad/bad
! used by mrqmin to evaluate the linearized fitting matrix alpha, and vector
! beta as in (15.5.8), and calculate chi-square.
integer mfit,i,j,k,l,m
real dy,sig2i,wt,ymod,dyda(mmax)
mfit=0
do 11 j=1,ma
if (ia(j).ne.0) mfit=mfit+1
11 continue
! initialize (symmetric) alpha, beta
do 13 j=1,mfit
do 12 k=1,j
alpha(j,k)=0.
12 continue
beta(j)=0.
13 continue
chisq=0.
! summation loop over all data.
do 16 i=1,ndata
t=timgnew(i)
call nonlinearSO(a,ymod,dyda,ma)
if (bad) return
if (t.lt.0..or.t.ge.32767.) then
sig2i=0.
else
sig2i=1.
endif
dy=t-ymod
j=0
do 15 l=1,ma
if (ia(l).ne.0) then
j=j+1
wt=dyda(l)*sig2i
k=0
do 14 m=1,l
if (ia(m).ne.0) then
k=k+1
alpha(j,k)=alpha(j,k)+wt*dyda(m)
endif
14 continue
beta(j)=beta(j)+dy*wt
endif
15 continue
! and find xhi-square
chisq=chisq+dy*dy*sig2i
16 continue
! fill in the symmetric side.
do 18 j=2,mfit
do 17 k=1,j-1
alpha(k,j)=alpha(j,k)
17 continue
18 continue
return
end
subroutine nonlinearSO(a,ymod,dyda,ma)
parameter (maxlink=8)
dimension afunc(12),a(ma),dyda(ma)
common /ihklnbr/k,ihkl(3,maxlink+1)
call mosmodel(afunc,ma)
ymod=a(1)*a(1)*afunc(1)+a(2)*afunc(2)+a(3)*afunc(3)+a(4)
do 10 j=2,k
ymod=ymod+a(j+3)*a(j+3)*afunc(j+3)
10 continue
dyda(1)=2*a(1)*afunc(1)
dyda(2)=afunc(2)
dyda(3)=afunc(3)
dyda(4)=1.
do 20 j=2,k
dyda(j+3)=2*a(j+3)*afunc(j+3)
20 continue
do 30 j=k+4,ma
dyda(j)=0.
30 continue
return
end