Added mode_convert and documentation. Created new .mb filetype which contains all necessary information for operating on simulation cells. Created framework for reading in data files, right now only .mb style files
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5 changed files with 174 additions and 10 deletions
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src/mode_convert.f90
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27
src/mode_convert.f90
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module mode_convert
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use parameters
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use box
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use elements
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use io
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public
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contains
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subroutine convert
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!This subroutine converts a single input file from one format to another
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character(len=100) :: infile, outfile
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!We have to allocate the element and atom arrays with a size of 1 for the read in code to work
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call alloc_ele_arrays(1,1)
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!First read in the file
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call get_command_argument(2, infile)
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call get_in_file(infile)
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call read_in
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!Now get the outfile, writing is done after all the codes complete
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call get_command_argument(3, outfile)
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call get_out_file(outfile)
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end subroutine convert
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end module mode_convert
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