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zhouzh2011

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[求助] 谁能帮我看看这段Fortran程序,不胜感激

谁能帮我看看这段Fortran程序,与第一性原理计算有关的,不胜感激!
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  • 2012-04-12 17:24:39, 7.18 K

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snoopyzhao

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感谢参与,应助指数 +1
zhouzh2011: 金币+1 2012-04-12 19:45:11
啥问题呢?这都不说别人怎么看?
2楼2012-04-12 18:46:36
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snoopyzhao

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xzhdty: , 欢迎常来程序语言 2012-04-12 21:42:35
用法在文件中不是有吗?当然,除了这个之外,我也看不懂,呵呵……
CODE:
c---------------------------------------------------------------------
c     Utility program which handle the data in the file used
c     by 'cpa91' such that rearrangement of the records,
c     including the chnage in the number of the component atoms
c     and reversing of the spin direction, becomes possible.
c     Input data cards have a form like the following:
c
c     file1  1  2  3  4
c     file2  1  2 -1 -2
c
c     In this case 4 data named respectively 1, 2, 3, and 4 of
c     inout file will be output in the sequence of 1, 2, 1, 2 and
c     further the spin direction for the last two data is reversed.
c     Another example:
c
c     file1  1  2
c     file1  1  2  1  2
c
c     In this case both the input and the output files is file1, and
c     for the input only 2 data, 1 and 2, are assumed to recorded but
c     to be expanded up to 4 data in the output.
c     See inside for further detail.
c     The program uses some routines provided by 'cpasub91'.
c     coded by H. Akai, 27 aug. 1991 in Juelich
c---------------------------------------------------------------------

4楼2012-04-12 20:00:19
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