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

This commit is contained in:
Alex Selimov 2019-12-05 11:04:49 -05:00
parent 03f69c6df7
commit d624e6ed5d
5 changed files with 174 additions and 10 deletions

27
src/mode_convert.f90 Normal file
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module mode_convert
use parameters
use box
use elements
use io
public
contains
subroutine convert
!This subroutine converts a single input file from one format to another
character(len=100) :: infile, outfile
!We have to allocate the element and atom arrays with a size of 1 for the read in code to work
call alloc_ele_arrays(1,1)
!First read in the file
call get_command_argument(2, infile)
call get_in_file(infile)
call read_in
!Now get the outfile, writing is done after all the codes complete
call get_command_argument(3, outfile)
call get_out_file(outfile)
end subroutine convert
end module mode_convert