¡¾´ð°¸¡¿Ó¦Öú»ØÌû
xzhdty: , »¶Ó³£À´³ÌÐòÓïÑÔ 2012-04-12 21:42:35
Ó÷¨ÔÚÎļþÖв»ÊÇÓÐÂ𣿵±È»£¬³ýÁËÕâ¸öÖ®Í⣬ÎÒÒ²¿´²»¶®£¬ºÇºÇ¡¡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---------------------------------------------------------------------