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【求助】重金求C或fortran编写小程序,万分谢谢
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| 我是一个编程菜鸟,想请教下一个小程序怎么编译:有8000组数据,每组数据里包括能量,一百多个原子的坐标等其他信息,我要每隔10组取出一组,万分感谢。急。 |
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feichengxyz
铁杆木虫 (著名写手)
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3楼2009-04-23 11:45:54
2楼2009-04-23 10:32:13
5楼2009-04-23 23:56:22
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这是其中两组数据,这样的数据有8000组,所以不好粘贴上来 332 1 -300 Bi 5.60000 3.44806 0.02255 Bi 12.36555 3.44806 0.02255 Bi 5.60000 22.24028 0.02255 Bi 12.36555 22.24028 0.02255 Bi 5.60000 2.75194 0.02255 Bi 12.36555 2.75194 0.02255 Bi 5.60000 15.74416 0.02255 Bi 12.36555 15.74416 0.02255 Bi 6.45518 3.44806 0.02255 Bi 15.32073 3.44806 0.02255 Bi 6.45518 22.24028 0.02255 Bi 15.32073 22.24028 0.02255 Bi 6.45518 2.75194 0.06665 Bi 15.32073 2.75194 0.06665 Bi 6.45518 15.74416 0.06665 Bi 15.32073 15.74416 0.06665 Bi 0.54482 3.44806 5.06665 Bi 9.41037 3.44806 5.06665 Bi 0.54482 22.24028 5.02255 Bi 9.41037 22.24028 5.02255 Bi 0.54482 2.75194 5.02255 Bi 9.41037 2.75194 5.02255 Bi 0.54482 15.74416 5.02255 Bi 9.41037 15.74416 5.02255 Bi 4.97759 6.00000 5.02255 Bi 13.84314 6.00000 5.02255 Bi 4.97759 18.99222 5.02255 Bi 13.84314 18.99222 5.02255 Bi 4.97759 12.49611 5.02255 Bi 13.84314 12.49611 5.02255 Bi 4.97759 25.48833 5.02255 Bi 13.84314 25.48833 5.02255 Bi 7.93278 6.00000 5.02255 Bi 16.79833 6.00000 5.02255 Bi 7.93278 18.99222 5.02255 Bi 16.79833 18.99222 5.02255 Bi 7.93278 12.49611 5.02255 Bi 16.79833 12.49611 5.02255 Bi 7.93278 25.48833 0.02255 Bi 16.79833 25.48833 0.02255 Bi 2.02241 6.00000 0.02255 Bi 10.88796 6.00000 0.02255 Bi 2.02241 18.99222 0.02255 Bi 10.88796 18.99222 0.02255 Bi 2.02241 12.49611 0.02255 Bi 10.88796 12.49611 0.02255 Bi 2.02241 25.48833 0.02255 Bi 10.88796 25.48833 0.02255 Bi 5.60000 6.00000 1.27449 Bi 12.36555 6.00000 1.27449 Bi 5.60000 18.99222 1.27449 Bi 12.36555 18.99222 1.27449 Bi 5.60000 12.49611 1.27449 Bi 12.36555 12.49611 1.27449 Bi 5.60000 25.48833 1.27449 Bi 12.36555 25.48833 1.27449 Bi 6.45518 6.00000 1.27449 Bi 15.32073 6.00000 1.27449 Bi 6.45518 18.99222 1.27449 Bi 15.32073 18.99222 1.27449 Bi 6.45518 12.49611 1.27449 Bi 15.32073 12.49611 1.27449 Bi 6.45518 25.48833 1.27449 Bi 15.32073 25.48833 1.27449 Bi 0.54482 6.00000 1.27449 Bi 9.41037 6.00000 1.27449 Bi 0.54482 18.99222 1.27449 Bi 9.41037 18.99222 1.27449 Bi 0.54482 12.49611 1.27449 Bi 9.41037 12.49611 1.27449 Bi 0.54482 25.48833 1.27449 Bi 9.41037 25.48833 1.27449 Bi 4.97759 3.44806 1.27449 Bi 13.84314 3.44806 1.27449 Bi 4.97759 22.24028 1.27449 Bi 13.84314 22.24028 1.27449 Bi 4.97759 2.75194 1.27449 Bi 13.84314 2.75194 1.27449 Bi 4.97759 15.74416 1.27449 Bi 13.84314 15.74416 1.27449 Bi 7.93278 3.44806 1.27449 Bi 16.79833 3.44806 1.27449 Bi 7.93278 22.24028 1.27449 Bi 16.79833 22.24028 1.27449 Bi 7.93278 2.75194 1.27449 Bi 16.79833 2.75194 1.27449 Bi 7.93278 15.74416 1.27449 Bi 16.79833 15.74416 1.27449 Bi 2.02241 3.44806 1.27449 Bi 10.88796 3.44806 1.27449 Bi 2.02241 22.24028 1.27449 Bi 10.88796 22.24028 1.27449 Bi 2.02241 2.75194 1.27449 Bi 10.88796 2.75194 1.27449 Bi 2.02241 15.74416 1.27449 Bi 10.88796 15.74416 1.27449 B 5.60000 6.00000 5.79704 B 12.36555 6.00000 5.79704 B 5.60000 18.99222 5.79704 B 12.36555 18.99222 5.79704 B 5.60000 12.49611 5.79704 B 12.36555 12.49611 5.79704 B 5.60000 25.48833 5.79704 B 12.36555 25.48833 5.79704 B 6.45518 6.00000 5.79704 B 15.32073 6.00000 5.79704 B 6.45518 18.99222 5.79704 B 15.32073 18.99222 5.79704 B 6.45518 12.49611 5.79704 B 15.32073 12.49611 5.79704 B 6.45518 25.48833 5.79704 B 15.32073 25.48833 5.79704 B 0.54482 6.00000 5.79704 B 9.41037 6.00000 5.79704 B 0.54482 18.99222 5.79704 B 9.41037 18.99222 5.79704 B 0.54482 12.49611 5.79704 B 9.41037 12.49611 5.79704 B 0.54482 25.48833 5.79704 B 9.41037 25.48833 5.79704 B 4.97759 4.02643 0.02255 B 13.84314 4.02643 0.02255 B 4.97759 17.01865 0.02255 B 13.84314 17.01865 0.02255 B 4.97759 10.52255 0.02255 B 13.84314 10.52255 0.02255 B 4.97759 25.61477 0.02255 B 13.84314 25.61477 0.02255 B 7.93278 4.02643 0.02255 B 16.79833 4.02643 0.02255 B 7.93278 17.01865 0.02255 B 16.79833 17.01865 0.02255 B 7.93278 10.52255 0.02255 B 16.79833 10.52255 0.02255 B 7.93278 25.61477 0.02255 B 16.79833 25.61477 0.02255 B 2.02241 4.02643 0.02255 B 10.88796 4.02643 0.02255 B 2.02241 17.01865 0.02255 B 10.88796 17.01865 0.02255 B 2.02241 10.52255 0.02255 B 10.88796 10.52255 0.02255 B 2.02241 25.61477 0.02255 B 10.88796 25.61477 0.02255 B 4.97759 7.97357 0.02255 B 13.84314 7.97357 0.02255 B 4.97759 20.96579 0.02255 B 13.84314 20.96579 0.02255 B 4.97759 1.47745 0.02255 B 13.84314 1.47745 0.02255 B 4.97759 14.46967 0.02255 B 13.84314 14.46967 0.02255 B 7.93278 7.97357 0.02255 B 16.79833 7.97357 0.02255 B 7.93278 20.96579 0.02255 B 16.79833 20.96579 0.02255 B 7.93278 1.47745 0.02255 B 16.79833 1.47745 0.02255 B 7.93278 14.46967 0.02255 B 16.79833 14.46967 0.02255 B 2.02241 7.97357 0.02255 B 10.88796 7.97357 0.02255 B 2.02241 20.96579 0.02255 B 10.88796 20.96579 0.02255 B 2.02241 1.47745 0.02255 B 10.88796 1.47745 0.02255 B 2.02241 14.46967 0.02255 B 10.88796 14.46967 0.02255 B 5.60000 6.00000 3.24806 B 12.36555 6.00000 3.24806 B 5.60000 18.99222 3.24806 B 12.36555 18.99222 3.24806 B 5.60000 12.49611 3.24806 B 12.36555 12.49611 3.24806 B 5.60000 25.48833 3.24806 B 12.36555 25.48833 3.24806 B 6.45518 6.00000 3.24806 B 15.32073 6.00000 3.24806 B 6.45518 18.99222 3.24806 B 15.32073 18.99222 3.24806 B 6.45518 12.49611 3.24806 B 15.32073 12.49611 3.24806 B 6.45518 25.48833 3.24806 B 15.32073 25.48833 3.24806 B 0.54482 6.00000 3.24806 B 9.41037 6.00000 3.24806 B 0.54482 18.99222 3.24806 B 9.41037 18.99222 3.24806 B 0.54482 12.49611 3.24806 B 9.41037 12.49611 3.24806 B 0.54482 25.48833 3.24806 B 9.41037 25.48833 3.24806 B 5.60000 3.44806 2.54898 B 12.36555 3.44806 2.54898 B 5.60000 22.24028 2.54898 B 12.36555 22.24028 2.54898 B 5.60000 2.75194 2.54898 B 12.36555 2.75194 2.54898 B 5.60000 15.74416 2.54898 B 12.36555 15.74416 2.54898 B 6.45518 3.44806 2.54898 B 15.32073 3.44806 2.54898 B 6.45518 22.24028 2.54898 B 15.32073 22.24028 2.54898 B 6.45518 2.75194 2.54898 B 15.32073 2.75194 2.54898 B 6.45518 15.74416 2.54898 B 15.32073 15.74416 2.54898 B 0.54482 3.44806 2.54898 B 9.41037 3.44806 2.54898 B 0.54482 22.24028 2.54898 B 9.41037 22.24028 2.54898 B 0.54482 2.75194 2.54898 B 9.41037 2.75194 2.54898 B 0.54482 15.74416 2.54898 B 9.41037 15.74416 2.54898 B 4.97759 7.27449 1.27449 B 13.84314 7.27449 1.27449 B 4.97759 20.26671 1.27449 B 13.84314 20.26671 1.27449 B 4.97759 0.77838 1.27449 B 13.84314 0.77838 1.27449 B 4.97759 13.77060 1.27449 B 13.84314 13.77060 1.27449 B 7.93278 7.27449 1.27449 B 16.79833 7.27449 1.27449 B 7.93278 20.26671 1.27449 B 16.79833 20.26671 1.27449 B 7.93278 0.77838 1.27449 B 16.79833 0.77838 1.27449 B 7.93278 13.77060 1.27449 B 16.79833 13.77060 1.27449 B 2.02241 7.27449 1.27449 B 10.88796 7.27449 1.27449 B 2.02241 20.26671 1.27449 B 10.88796 20.26671 1.27449 B 2.02241 0.77838 1.27449 B 10.88796 0.77838 1.27449 B 2.02241 13.77060 1.27449 B 10.88796 13.77060 1.27449 B 4.97759 4.72551 1.27449 B 13.84314 4.72551 1.27449 B 4.97759 17.71773 1.27449 B 13.84314 17.71773 1.27449 B 4.97759 11.22162 1.27449 B 13.84314 11.22162 1.27449 B 4.97759 24.21384 1.27449 B 13.84314 24.21384 1.27449 B 7.93278 4.72551 1.27449 B 16.79833 4.72551 1.27449 B 7.93278 17.71773 1.27449 B 16.79833 17.71773 1.27449 B 7.93278 11.22162 1.27449 B 16.79833 11.22162 1.27449 B 7.93278 24.21384 1.27449 B 16.79833 24.21384 1.27449 B 2.02241 4.72551 1.27449 B 10.88796 4.72551 1.27449 B 2.02241 17.71773 1.27449 B 10.88796 17.71773 1.27449 B 2.02241 11.22162 1.27449 B 10.88796 11.22162 1.27449 B 2.02241 24.21384 1.27449 B 10.88796 24.21384 1.27449 B 5.60000 2.75194 0.00000 B 12.36555 2.75194 0.00000 B 5.60000 15.74416 0.00000 B 12.36555 15.74416 0.00000 B 5.60000 3.44806 0.00000 B 12.36555 3.44806 0.00000 B 5.60000 22.24028 0.00000 B 12.36555 22.24028 0.00000 B 6.45518 2.75194 0.00000 B 15.32073 2.75194 0.00000 B 6.45518 15.74416 0.00000 B 15.32073 15.74416 0.00000 B 6.45518 3.44806 0.00000 B 15.32073 3.44806 0.00000 B 6.45518 22.24028 0.00000 B 15.32073 22.24028 0.00000 B 0.54482 2.75194 0.00000 B 9.41037 2.75194 0.00000 B 0.54482 15.74416 0.00000 B 9.41037 15.74416 0.00000 B 0.54482 3.44806 0.00000 B 9.41037 3.44806 0.00000 B 0.54482 22.24028 0.00000 B 9.41037 22.24028 0.00000 B 6.47200 5.17890 7.60494 B 15.33755 5.17890 7.60494 B 6.47200 18.17112 7.60494 B 15.33755 18.17112 7.60494 B 4.98950 7.76870 7.50964 B 13.85505 7.76870 7.50964 B 4.98950 20.76092 7.50964 B 13.85505 20.76092 7.50964 B 3.48670 5.19070 7.60884 B 12.35225 5.19070 7.60884 B 3.48670 18.18292 7.60884 B 12.35225 18.18292 7.60884 B 4.96880 2.94590 6.30814 B 13.83435 2.94590 6.30814 B 4.96880 15.93812 6.30814 B 13.83435 15.93812 6.30814 B 7.62910 7.50790 6.13284 B 16.49465 7.50790 6.13284 B 7.62910 20.50012 6.13284 B 16.49465 20.50012 6.13284 B 7.63310 7.61180 8.89474 B 16.49865 7.61180 8.89474 B 7.63310 20.60402 8.89474 B 16.49865 20.60402 8.89474 B 2.34430 7.52870 6.13944 B 11.20985 7.52870 6.13944 B 2.34430 20.52092 6.13944 B 11.20985 20.52092 6.13944 B 2.34830 7.63260 8.90154 B 11.21385 7.63260 8.90154 B 2.34830 20.62482 8.90154 B 11.21385 20.62482 8.90154 AA 4.97470 3.99700 7.65164 AA 13.84025 3.99700 7.65164 AA 4.97470 16.98922 7.65164 AA 13.84025 16.98922 7.65164 AA 6.76300 7.06360 7.53374 AA 15.62855 7.06360 7.53374 AA 6.76300 20.05582 7.53374 AA 15.62855 20.05582 7.53374 AA 3.21050 7.07770 7.53814 AA 12.07605 7.07770 7.53814 AA 3.21050 20.06992 7.53814 AA 12.07605 20.06992 7.53814 |
6楼2009-04-24 09:18:57














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